data_2lxe_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 2lxe _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 ' 31' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.79 0.329 . . . . 72.12 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -87.6 -12.12 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.21 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -113.22 -22.21 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.9 -26.27 46.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 62.23 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.46 -34.41 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.885 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -55.26 -26.39 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.843 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 ttt -55.42 -26.12 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.45 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.6 -41.07 96.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.874 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.3 -23.71 64.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 62.5 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.3 mtt -70.9 -34.12 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.47 -0.56 42.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.933 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -140.32 66.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.866 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 71.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.27 -21.42 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.01 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.15 97.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.128 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.2 -22.0 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.903 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.2 -46.11 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.925 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -32.66 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.869 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 p -69.4 -43.98 72.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.102 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -30.49 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.875 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.03 -42.27 84.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.35 11.67 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 t0 63.73 63.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.8 mt -117.33 131.39 24.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 73.21 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.76 41.09 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 75.2 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.8 -10.54 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.854 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.44 -38.21 63.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.78 -28.66 17.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.41 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -74.09 -30.12 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.72 -59.45 6.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 75.13 110.877 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.71 -13.22 34.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 74.43 112.385 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.4 -57.31 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -57.77 -43.78 85.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.967 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -60.05 -23.29 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.886 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -73.49 -30.33 63.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.74 -51.53 12.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.959 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.94 -24.14 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.924 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.9 -53.72 55.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.852 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -77.33 -29.76 53.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.3 4.63 30.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.056 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.92 23.66 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 64.12 112.477 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.8 39.47 6.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 73.4 112.496 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.63 103.99 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 74.55 110.889 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -80.85 -21.0 41.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.13 -52.47 51.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.891 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.28 -42.34 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.891 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.55 -25.16 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 73.2 111.113 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.63 8.25 45.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.907 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD21 ' HD2' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -63.12 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.912 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HD2' HD21 ' A' ' 86' ' ' LEU . 2.3 m-20 -134.54 27.0 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.865 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.06 40.8 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 60.91 40.7 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.03 110.912 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -51.6 -30.42 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 75.14 111.142 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.43 64.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.108 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.04 -34.45 77.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.942 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.27 -50.05 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 75.1 111.167 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.64 -29.85 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.852 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -56.99 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 71.43 111.129 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.2 mm -60.0 -37.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.1 -33.79 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.887 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -76.48 -55.06 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 55.14 110.82 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.87 -54.3 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 54.41 110.896 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.677 0.275 . . . . 72.31 111.133 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.19 -25.89 63.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 63.15 110.878 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 m -116.56 -23.07 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.845 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.28 -45.88 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.77 15.41 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.982 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.94 -27.81 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.3 mtm -53.09 -41.68 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.8 -38.62 58.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.85 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -63.17 -22.47 66.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.922 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -22.58 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.6 mtt -76.0 -38.72 57.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.17 -18.15 60.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 62.4 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 t -118.13 66.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.835 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.936 0.398 . . . . 72.24 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -68.38 -21.45 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.51 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -73.45 -38.07 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 70.23 111.122 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.86 -21.3 56.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.75 -41.37 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -33.33 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p -74.36 -47.2 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.27 -27.3 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.36 -40.45 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.81 13.64 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.29 74.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.876 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.65 131.03 23.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 74.44 111.145 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.51 40.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.757 2.305 . . . . 71.31 112.335 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.68 -10.38 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.859 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -75.73 -32.76 60.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -30.95 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 64.21 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.1 m -71.15 -30.48 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.127 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.484 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -51.16 -60.53 5.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 62.51 110.895 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.69 -14.93 37.02 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.717 2.278 . . . . 72.11 112.362 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -80.04 -57.39 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 71.1 111.133 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.67 -45.04 90.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.946 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 mmt -58.37 -25.66 62.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.83 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -67.09 -30.2 70.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 70.23 110.943 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mt -75.33 -42.22 54.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.27 -23.93 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.943 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.12 -54.19 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -77.62 -30.96 52.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.862 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.77 3.98 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.25 111.12 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.4 24.26 29.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 74.41 112.414 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.27 39.0 6.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.51 112.535 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.7 103.86 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 74.01 110.852 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -79.92 -20.99 44.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.72 -53.26 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.812 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.4 -41.94 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.878 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.49 -26.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 75.52 111.095 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.03 8.52 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.85 -16.77 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.25 26.22 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.851 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.22 39.8 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 61.21 40.59 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 73.33 110.954 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.2 m -51.54 -33.03 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 75.43 111.126 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.86 -36.08 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.35 110.989 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.95 -34.59 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 74.4 110.952 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.23 -49.69 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.097 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -74.45 -29.76 61.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 54.31 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.24 -56.96 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.36 -36.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 53.21 111.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.19 -34.53 73.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 64.51 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -76.36 -54.97 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.895 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.29 -53.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 74.04 111.181 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.877 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.872 0.368 . . . . 72.32 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.84 -24.17 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 62.55 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -116.19 -22.98 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.822 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.45 -44.2 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.847 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.0 15.48 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.46 -23.9 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.8 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -21.34 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 73.33 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.95 -24.99 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -54.38 -32.05 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.26 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 43.22 111.092 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.7 mtp -79.66 -33.83 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.76 -6.68 59.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.9 t -128.18 52.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.51 111.21 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.888 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.799 0.333 . . . . 74.25 111.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.56 -32.43 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.912 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -51.07 -34.11 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.909 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.23 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.45 111.089 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.62 -20.41 55.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.928 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.58 -40.84 93.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.31 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.22 -33.3 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 p -74.18 -43.75 56.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 61.31 111.13 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -56.5 -26.3 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.869 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -65.24 -39.79 93.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.916 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.97 14.01 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.854 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.23 73.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.914 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -130.13 131.2 23.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.692 0.758 . . . . 72.45 111.15 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.78 138.8 38.61 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 61.41 112.348 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.78 -10.22 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.928 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.36 -37.72 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.34 110.949 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -91.46 -30.21 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.841 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.0 m -75.03 -30.31 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.076 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.13 -59.47 6.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 63.1 110.85 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.0 Cg_endo -69.71 -13.23 34.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 74.23 112.362 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.31 -57.36 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.115 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.75 -43.58 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ptp -60.19 -23.28 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.883 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -30.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.936 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.88 -51.57 12.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.909 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.12 -24.16 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.922 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.36 -53.82 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.835 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.04 -30.34 55.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.96 4.05 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.12 111.089 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.27 23.36 33.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 41.33 112.518 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.49 5.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 53.31 112.495 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.79 106.26 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 72.32 110.895 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -83.92 -20.19 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.924 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 t -52.82 -48.01 67.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 64.03 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.21 -42.71 18.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.472 . . . . 63.55 110.964 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.41 -26.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.097 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.02 7.41 46.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.969 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.26 -16.23 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.26 27.44 3.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.843 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.12 41.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.893 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 60.74 40.56 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 73.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -51.73 -30.42 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 75.34 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.1 -35.37 64.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 73.54 111.07 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.22 -34.34 76.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.29 -50.59 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.108 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.77 -29.84 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 74.51 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.36 -57.24 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.094 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.8 -45.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.134 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.66 -31.01 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.928 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -76.61 -55.14 5.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.8 t -62.38 -53.64 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.173 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.827 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.858 0.361 . . . . 74.21 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -76.57 -23.42 53.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.815 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -115.44 -23.34 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.92 -28.39 64.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.05 15.42 18.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.837 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.1 mmm -53.7 -38.49 64.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.01 -24.93 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.936 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -88.17 -23.79 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.13 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.073 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtp -76.19 -40.84 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.68 -16.25 61.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.934 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.6 t -119.96 47.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.135 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 63.35 110.894 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 64.12 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.39 -25.41 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -64.08 -38.5 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.9 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 73.31 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.09 -21.22 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.29 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 64.22 110.898 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.61 -34.66 53.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.813 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -75.2 -44.81 44.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.079 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -54.47 -27.11 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 70.42 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.4 -39.45 93.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.856 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.57 13.23 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.12 74.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 43.34 110.872 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.0 mt -129.45 131.07 23.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 74.22 111.182 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 139.63 40.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.705 2.27 . . . . 75.4 112.349 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.54 -10.54 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 64.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -75.99 -32.11 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 65.43 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 -29.05 13.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 75.02 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -74.34 -30.9 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.1 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.511 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 1.3 mmt -51.08 -59.03 8.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.507 0.67 . . . . 53.24 110.874 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.99 36.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 71.03 112.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -80.79 -48.21 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.067 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.27 -37.76 74.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.16 -22.95 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.888 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.937 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.69 -44.72 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.881 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.8 -23.8 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.54 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.24 -51.61 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 70.21 110.833 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.16 -39.94 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.916 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.49 -14.39 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 45.41 111.109 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.88 -9.22 77.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 71.24 112.473 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.42 49.31 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 52.33 112.554 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 101.89 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.774 0.321 . . . . 61.04 110.842 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -72.57 -28.57 62.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -54.32 -44.49 72.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 71.05 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.87 -41.76 13.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.21 -26.97 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 71.21 111.155 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.17 2.25 42.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.893 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.1 tt -51.03 -30.01 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.884 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -123.52 28.25 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.843 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.0 41.1 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.48 38.1 10.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.922 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -52.26 -33.13 40.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 75.02 111.151 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.46 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.079 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.13 -34.08 75.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 73.5 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.97 -49.55 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.148 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.88 -29.94 61.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.872 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 -57.38 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.3 mm -58.85 -38.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.119 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.44 -33.11 72.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.1 t -76.56 -55.05 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 72.53 110.815 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.32 -53.73 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.136 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 73.14 110.909 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.767 0.317 . . . . 72.15 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -73.19 -25.79 60.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.877 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -116.31 -25.09 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 44.53 110.815 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.93 -25.94 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -33.92 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.93 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -55.22 -26.56 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.859 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mmt -55.2 -29.33 57.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.886 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -77.19 -26.65 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.896 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.51 -24.23 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.936 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.5 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.177 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.2 mmm -76.59 -44.02 36.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.842 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.76 -19.77 64.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 t -114.4 43.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.04 111.16 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 63.45 110.856 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.845 0.355 . . . . 73.14 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -58.84 -33.03 69.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 61.31 110.935 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -51.19 -34.68 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.885 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.03 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 64.3 111.108 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.41 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.952 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.35 -39.97 89.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 75.55 110.915 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -77.4 -33.49 55.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.11 110.874 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.5 p -74.7 -44.35 50.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.33 111.153 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -55.68 -26.66 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.937 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 73.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.849 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.5 mt -128.43 131.05 23.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 75.42 111.085 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 138.85 39.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 70.01 112.351 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -67.77 -10.33 51.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.29 -36.49 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.867 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 -30.25 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.904 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -73.43 -30.57 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.44 111.108 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.495 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -50.49 -59.75 6.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 64.42 110.831 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.42 35.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 75.05 112.391 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -81.23 -57.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.123 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.39 -43.19 83.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.9 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.9 ptm -60.69 -23.71 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.869 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -30.22 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.09 -49.61 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.41 -23.99 67.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.939 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.11 -53.99 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -77.4 -30.9 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 4.23 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.045 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.44 23.98 29.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 54.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.74 41.24 5.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 61.15 112.441 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.48 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 75.34 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -82.73 -20.51 35.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -52.74 -53.27 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 72.2 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -76.05 -44.38 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.915 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.37 -31.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.126 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.59 -10.04 38.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.909 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -29.92 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.7 23.39 12.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.43 40.36 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.942 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 61.12 40.55 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.942 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 m -51.39 -32.57 26.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 50.53 111.133 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.17 -36.35 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 72.35 111.123 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.886 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.88 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.95 -29.75 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.851 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.15 -57.42 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.3 mm -58.5 -35.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.171 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.43 -33.99 73.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.914 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -76.33 -54.94 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 71.32 110.931 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.6 -52.7 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 74.31 111.088 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.774 0.321 . . . . 74.24 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.48 -23.38 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m -114.24 -21.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.928 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -58.27 -24.72 60.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 71.44 110.907 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.0 15.46 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.26 1.43 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.76 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -40.28 29.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.66 -25.95 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 73.55 110.918 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -79.96 -23.76 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.85 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.108 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.44 -32.5 48.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.96 6.06 34.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 t -142.73 52.2 1.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.934 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.944 0.402 . . . . 71.22 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.31 -24.49 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.88 -38.58 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.33 110.954 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.093 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.93 -21.12 57.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.893 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.42 -43.08 91.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.52 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -77.29 -32.69 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.873 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -73.12 -46.69 49.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 71.44 111.104 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -56.06 -27.05 51.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 74.02 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.77 -40.5 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.914 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.22 15.55 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.94 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 64.32 74.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.892 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.98 124.58 17.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 74.01 111.16 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.19 29.89 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.726 2.284 . . . . 74.23 112.366 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -19.1 37.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 65.15 110.802 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.37 -42.58 98.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.33 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -89.54 -29.43 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 73.52 110.92 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.4 m -73.04 -30.52 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.095 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.488 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.57 -60.06 5.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 71.35 110.863 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.72 -12.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 62.24 112.364 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.45 -57.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.121 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.79 -43.77 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.876 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.6 ptm -60.08 -23.41 63.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -30.39 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.875 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.67 -51.59 12.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 71.33 110.941 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.47 -24.18 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.04 110.948 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.13 -53.74 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.944 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.37 -29.83 53.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 75.5 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.33 4.57 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.41 111.078 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.99 31.89 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 72.22 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.45 39.33 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.823 -0.703 . . . . 73.12 112.506 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.69 104.94 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 74.55 110.818 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -81.33 -20.71 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.42 -52.87 51.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.44 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -76.81 -42.26 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 75.04 110.862 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -25.45 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 75.3 111.139 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.74 7.97 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.807 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -62.87 -16.73 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.75 27.46 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 52.21 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.19 40.92 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.24 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 61.25 40.32 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.848 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -51.98 -29.53 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 75.5 111.164 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.64 -35.03 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 72.12 111.099 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.42 -34.95 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.52 110.852 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.89 -50.9 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 64.11 111.188 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.08 -29.83 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.25 -57.26 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.34 111.18 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.2 -46.75 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.33 111.131 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -60.81 -29.89 69.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 72.52 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.6 t -76.3 -54.38 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.832 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.54 -52.07 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.22 111.139 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.884 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.745 0.307 . . . . 73.21 111.089 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.74 -21.67 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -116.09 -17.88 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.9 -25.31 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.865 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -30.01 21.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.884 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -31.0 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.882 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 mmm -52.03 -31.02 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.871 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.44 -47.67 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 65.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -73.02 -24.12 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -22.83 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.45 111.109 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.03 -49.16 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.3 -22.05 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.91 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -103.31 -22.37 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.21 111.185 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.53 110.9 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 73.34 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.98 -24.62 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.964 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -61.04 -32.47 72.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.847 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.07 78.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.02 111.127 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.09 -21.38 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.23 -40.98 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 75.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -77.04 -33.18 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.897 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -74.45 -43.22 57.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 72.3 111.136 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -57.94 -26.38 62.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -65.37 -40.05 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.837 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.51 14.34 17.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.856 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.39 74.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.859 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -130.64 130.62 22.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 75.01 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.35 39.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.241 . . . . 75.53 112.283 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -67.75 -10.38 52.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.873 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.68 -40.34 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.25 -27.5 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.912 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -73.1 -30.45 63.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.494 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.68 -59.9 6.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 74.1 110.869 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.7 -14.78 36.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.744 2.296 . . . . 74.03 112.373 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.08 -56.95 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.189 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.07 -43.04 86.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 75.22 110.893 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.3 ptm -60.21 -23.55 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.82 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -71.6 -29.64 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.31 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.21 -40.16 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 74.42 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.28 -23.18 62.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -60.99 -50.65 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -77.07 -42.92 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.43 -2.82 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 64.02 111.084 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.9 22.6 62.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 65.33 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.59 36.9 5.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 61.41 112.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.84 106.35 13.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 72.32 110.917 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -80.8 -22.68 39.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -51.88 -52.42 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.877 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.64 -42.99 40.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.36 -24.62 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.488 . . . . 75.13 111.11 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.96 -0.34 42.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.857 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.73 -25.5 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.05 26.39 7.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.15 110.89 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.78 42.95 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 60.76 41.92 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.1 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -55.94 -29.94 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.15 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.72 -36.73 65.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.09 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.05 -34.15 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.04 -49.03 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.133 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.4 -29.82 61.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.854 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 -56.97 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.62 -40.19 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.134 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.61 -32.61 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -76.5 -54.82 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.826 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.11 -54.07 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.54 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.53 110.926 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.815 0.34 . . . . 75.55 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.41 -27.99 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.939 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -132.25 15.49 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 51.35 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -88.89 -25.66 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.851 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.63 15.48 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 75.03 110.898 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -79.46 -28.3 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.844 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mtm -63.43 -20.43 65.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.874 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -51.76 -34.08 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 75.33 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -57.56 -33.3 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.36 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.079 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.0 mmm -54.36 -49.11 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.87 -18.27 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.992 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -131.46 66.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.151 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.947 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.777 0.322 . . . . 71.01 111.064 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.66 -31.34 69.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.925 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -50.63 -33.44 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 72.52 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.42 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 75.14 111.069 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.88 -19.79 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 75.3 110.892 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -66.13 -40.36 90.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.88 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -33.58 55.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.876 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.5 p -74.51 -46.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 72.55 111.131 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -54.19 -27.29 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.89 -40.69 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.945 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 14.86 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.95 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.27 73.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.3 110.937 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mt -130.25 131.01 23.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 72.02 111.072 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 138.77 38.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 70.14 112.349 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -67.71 -10.31 51.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.6 -37.36 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.869 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -92.38 -30.39 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m -74.78 -30.73 61.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.245 -0.434 . . . . 64.53 111.136 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -50.62 -59.16 7.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 73.24 110.855 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.75 -15.41 37.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 71.43 112.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 t -80.71 -56.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.141 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.86 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.887 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -68.92 -25.22 64.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.824 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -62.77 -30.77 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 73.42 110.865 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mt -81.12 -49.77 10.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.912 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.34 -22.37 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.941 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.75 -52.77 18.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 74.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.66 -38.4 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.851 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 -9.75 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.32 -12.35 62.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 65.24 112.499 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 46.51 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 63.4 112.531 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.3 100.7 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 71.53 110.843 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -69.01 -30.57 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.899 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -54.74 -54.81 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.789 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.51 -37.64 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.959 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.18 -24.75 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 70.55 111.168 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -1.22 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -30.97 12.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.848 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -119.53 26.1 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.55 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.49 43.97 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.846 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 61.64 33.97 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.962 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.4 m -51.65 -33.71 34.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 75.34 111.085 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.04 -36.15 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.24 111.127 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -35.62 80.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 71.11 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.7 t -62.62 -49.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 64.31 111.09 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.04 -30.98 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.89 -57.57 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.32 111.081 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 mm -56.58 -46.64 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.095 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -60.74 -30.53 70.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 74.2 110.886 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -76.5 -55.38 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.48 -51.37 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 74.1 111.166 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.812 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.717 0.294 . . . . 74.34 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -73.65 -23.9 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 m -113.64 -21.91 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.44 -26.3 41.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.74 -25.84 66.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 72.42 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.482 ' HD2' ' NE2' ' A' ' 39' ' ' GLN . 12.1 t70 -53.0 -29.11 27.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.893 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 ttt -52.67 -29.39 26.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -56.18 -25.4 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' NE2' ' HD2' ' A' ' 36' ' ' ASP . 19.8 mt-30 -54.48 -33.76 60.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 54.35 110.914 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.55 67.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 55.22 111.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.39 -44.63 28.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.02 -30.16 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.2 t -99.72 30.93 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.816 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.878 0.371 . . . . 65.51 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.9 -21.32 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.888 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -71.01 -37.05 72.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.97 99.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.076 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.98 -23.65 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.64 -52.39 65.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -32.27 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 74.14 110.867 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.4 p -74.26 -31.33 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 72.43 111.118 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -68.07 -35.83 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.868 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.31 -36.03 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.829 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mt -87.79 6.57 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.898 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 65.43 75.88 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 mt -137.37 131.02 17.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.65 0.738 . . . . 72.22 111.083 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 139.72 40.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.47 -10.74 54.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.08 -31.75 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.926 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.57 -25.11 14.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.808 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -74.99 -30.41 61.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.118 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.69 -58.98 7.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 74.21 110.882 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.78 -15.15 36.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 2.233 . . . . 74.41 112.316 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -80.81 -50.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.182 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.28 -39.6 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.901 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -68.67 -23.21 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.9 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -65.4 -30.56 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mt -83.49 -43.08 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.933 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.26 -23.87 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.909 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.86 -52.54 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -77.28 -39.26 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.39 -12.47 60.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 61.33 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 -9.51 71.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 73.01 112.515 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 50.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.15 112.481 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.35 101.98 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 75.44 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -72.58 -27.84 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 t -55.89 -44.09 77.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.31 110.839 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.06 -37.89 17.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 75.52 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.99 -26.0 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 74.1 111.113 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -0.64 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.949 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -31.51 13.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -119.35 26.64 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.811 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.95 40.96 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.911 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 63.43 37.62 10.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.919 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -51.5 -33.33 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.94 40.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.076 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.56 -33.97 76.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.914 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -65.1 -49.08 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.17 -30.06 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.3 -57.39 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.127 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.0 mm -58.41 -36.32 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.094 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.16 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 t -76.43 -54.93 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.88 -54.9 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.112 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.941 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 74.21 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.97 -25.13 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 t -116.03 -23.53 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 62.34 110.859 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.79 -23.31 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.881 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.69 15.5 14.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -77.74 -25.97 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.861 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.14 -43.66 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -54.19 -35.4 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.24 -23.15 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -19.78 60.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.25 111.098 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.3 mmm -85.33 -43.66 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.848 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.46 -26.27 63.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.956 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.9 t -97.56 36.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.178 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.903 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.801 0.334 . . . . 74.12 111.097 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.98 -21.28 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.888 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -74.88 -37.17 62.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.43 98.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 75.42 111.079 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.58 -20.4 55.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -41.78 87.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.13 -33.19 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -74.19 -47.61 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 75.53 111.157 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.36 -27.82 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.04 -40.65 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.865 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.37 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 73.1 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 64.3 74.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mt -130.04 131.17 23.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 74.23 111.112 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.0 41.81 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.719 2.279 . . . . 73.41 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.82 -10.42 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 54.42 110.81 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.59 -34.0 60.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 65.54 110.912 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.08 -30.76 12.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.861 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -70.98 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.481 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 1.4 mmt -50.54 -60.7 4.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.569 0.699 . . . . 71.43 110.878 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.8 -14.17 35.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.752 2.301 . . . . 71.12 112.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.84 -57.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.79 -44.59 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 70.02 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.16 -26.26 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.92 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.44 -30.19 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.865 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.03 -42.49 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.871 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.07 -23.78 65.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.884 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.62 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.71 -31.07 52.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.891 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 3.81 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 54.23 111.078 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.49 23.98 29.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 71.44 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.92 38.71 6.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.466 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.75 104.03 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.361 . . . . 72.31 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -79.6 -22.31 43.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.99 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -52.44 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.837 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.41 -41.86 38.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.06 -26.31 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.36 8.07 44.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.947 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.51 -17.27 59.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.874 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.0 26.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 110.876 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.76 39.78 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.955 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 61.32 40.5 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.917 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -51.47 -33.04 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 65.02 111.15 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.65 -35.8 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.089 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.52 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.97 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.146 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.51 -29.74 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.916 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -56.96 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.103 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.77 -37.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.34 111.13 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.18 -33.82 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -76.5 -54.98 5.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.093 -0.503 . . . . 61.14 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.71 -53.55 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.189 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.919 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.855 0.36 . . . . 74.15 111.216 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.11 -17.17 35.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -114.22 -20.68 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.55 -28.86 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.01 15.39 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.911 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.07 -27.99 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.933 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 ttm -76.8 -25.7 53.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -20.68 60.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 73.44 110.896 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -51.89 -57.55 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.54 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 61.2 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.4 -25.35 50.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.2 -9.02 59.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 75.22 110.945 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -67.89 0.93 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.19 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.944 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 72.44 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.873 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -51.53 -31.44 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.862 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.35 68.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.05 111.088 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.14 -20.02 56.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.958 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.87 -43.0 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.935 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -77.59 -32.84 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 74.34 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 p -72.17 -46.33 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.13 111.113 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.33 -27.1 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.21 -40.24 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.958 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.66 14.07 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 74.44 110.915 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.72 73.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.824 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.0 130.85 22.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.34 111.145 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.99 39.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 52.22 112.353 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -67.71 -10.3 51.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 74.52 110.787 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.1 -38.19 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.862 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -28.94 17.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -73.8 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.503 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.1 -59.32 7.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.677 . . . . 72.43 110.887 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.72 -13.07 34.25 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 71.22 112.303 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.8 -57.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 55.52 111.125 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.85 -43.38 85.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.52 110.851 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -23.64 63.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.898 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -29.98 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.41 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.72 -51.36 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.01 110.98 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.75 -24.17 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.91 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.23 -53.66 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 74.11 110.922 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.0 -30.39 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.868 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.91 4.02 31.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.106 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.57 23.1 34.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 73.41 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.38 39.84 5.89 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.81 -0.71 . . . . 74.21 112.516 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.58 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 75.11 110.88 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -82.18 -20.28 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.864 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.37 -42.82 24.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.81 -27.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 72.24 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.26 -0.87 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.835 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.14 -23.88 37.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 75.25 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.76 25.17 7.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.863 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.68 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.864 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 61.15 40.53 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.936 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -51.62 -33.57 33.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.507 . . . . 73.15 111.16 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.46 -35.97 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.079 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.4 -34.52 77.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.64 -49.47 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.44 111.191 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.85 -29.89 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 63.55 110.904 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.46 -38.93 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 75.34 111.166 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.57 -33.18 72.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.93 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -76.36 -54.88 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 65.13 110.88 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.83 -54.37 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.123 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.87 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 73.11 111.063 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -26.54 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.914 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -116.25 -25.12 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.847 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.98 -25.74 45.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 65.45 110.835 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.3 -25.93 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.26 -28.2 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.822 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 ttt -80.98 -32.44 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.816 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -57.87 -23.57 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.937 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -53.99 -36.8 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.79 68.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 60.45 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.7 mmt -79.33 -44.86 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.07 -29.02 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -96.17 25.54 4.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.103 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.859 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 70.24 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.3 mt -52.71 -33.63 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -51.16 -32.95 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.15 110.924 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.42 66.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.052 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.63 -20.28 54.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.69 -42.44 91.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.944 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -77.13 -33.02 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 71.52 110.886 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -73.48 -46.92 45.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 61.23 111.113 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -55.89 -27.36 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 71.21 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.58 -40.15 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.53 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 64.18 73.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.886 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -129.65 131.3 23.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 65.51 111.218 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 138.84 38.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 74.11 112.346 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.62 -10.31 50.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.819 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.65 -32.52 60.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.877 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -30.77 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.0 m -73.47 -30.79 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.14 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -51.62 -59.6 7.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 73.43 110.913 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.73 -15.21 37.08 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 73.44 112.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.7 t -81.5 -49.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.41 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.94 -40.05 94.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.909 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -61.44 -25.04 66.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 64.51 110.871 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -30.88 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 74.1 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.38 -46.15 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD13 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -72.02 -22.47 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 70.42 110.924 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.4 -54.02 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.867 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.39 -36.4 45.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.48 -17.95 60.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 74.22 111.157 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.75 11.0 82.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 54.22 112.48 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 74' ' ' LEU . . . 97.27 39.34 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 73.34 112.536 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.32 108.43 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 74.32 110.904 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -85.18 -20.49 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.929 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.0 t -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -86.64 -45.73 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 72.4 110.944 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.0 -25.21 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 75.31 111.094 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.39 1.55 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.93 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.47 -16.95 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -130.94 26.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.819 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.89 42.45 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 60.18 41.3 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.939 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -52.78 -30.97 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 55.3 111.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.44 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.07 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.69 -33.59 75.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.52 111.0 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.85 -49.43 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.24 111.134 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -74.65 -29.99 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.35 110.888 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.35 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 61.54 111.067 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.48 -37.74 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.152 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.916 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -77.17 -55.03 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.59 -47.01 89.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.894 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.738 0.304 . . . . 74.24 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.44 -23.82 53.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -116.0 -23.74 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.905 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -57.89 -27.2 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 64.11 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.9 15.48 14.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.74 -26.0 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.8 ttp -61.04 -27.25 68.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.0 -26.25 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 70.31 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.35 -24.09 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.38 67.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 70.45 111.067 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.49 -45.4 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.885 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.16 -21.0 64.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 70.13 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -114.72 44.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.31 111.136 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.5 110.844 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.821 0.343 . . . . 73.04 111.157 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.04 -32.38 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -50.88 -32.77 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.862 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.35 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 64.34 111.18 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.84 -23.36 43.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.916 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -59.45 -48.17 82.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 61.24 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -32.96 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.948 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 p -71.13 -38.69 72.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.2 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -54.45 -36.92 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -64.81 -33.19 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 4.06 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.921 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.91 73.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.05 110.905 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -132.39 129.83 21.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 73.4 111.121 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 136.05 32.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 74.04 112.323 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -17.75 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.905 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.12 -44.33 84.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -88.88 -28.34 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.934 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -74.54 -30.32 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.108 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -49.89 -59.31 7.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 74.24 110.814 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.74 -13.65 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 74.33 112.337 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.99 -56.28 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.3 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -23.48 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.914 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -30.3 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.51 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.8 -46.71 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.926 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.89 -23.91 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 64.21 110.956 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -54.03 51.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.52 -30.83 53.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.98 4.38 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 74.15 111.105 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.54 28.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 72.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.53 39.39 6.31 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.733 -0.746 . . . . 73.54 112.561 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.82 106.42 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 74.22 110.884 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -82.37 -20.3 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -52.8 -52.14 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -77.55 -42.43 35.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.914 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.41 -26.85 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.164 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.43 6.37 48.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 72.51 110.916 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.19 -16.13 59.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.972 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.07 27.36 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.6 41.64 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.907 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 60.12 40.99 17.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 75.3 110.965 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.4 m -51.33 -33.52 29.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 74.24 111.203 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.47 -36.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.32 111.068 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.61 -34.05 77.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.927 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.72 -48.99 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.085 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -74.38 -30.14 61.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.67 -56.82 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.139 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.72 -35.75 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.14 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.7 -33.73 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -76.07 -54.74 6.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 42.25 110.826 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.03 -56.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 65.2 110.916 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.313 . . . . 73.53 111.114 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -75.08 -24.99 58.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -116.02 -24.59 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.512 . . . . 75.3 110.864 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.98 -26.16 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 74.32 110.825 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -25.19 35.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.436 . . . . 74.2 110.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.92 -40.5 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.875 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.41 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -74.78 -45.43 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -66.69 -31.65 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.81 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.066 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 mmm -81.91 -41.22 21.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.42 110.843 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.67 -25.08 61.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 75.23 110.945 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.2 t -100.64 36.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.155 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.899 0.381 . . . . 62.12 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.03 -22.34 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.91 -38.7 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.915 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.9 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 62.4 111.073 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.09 -22.86 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.956 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.69 -42.26 91.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.11 110.848 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.21 -32.65 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.905 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -73.77 -46.67 44.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.45 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -54.82 -26.82 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -63.57 -40.58 97.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 72.42 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.55 16.4 12.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.73 74.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.903 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mt -135.12 118.45 13.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 52.22 111.108 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.41 32.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 63.41 112.388 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -20.0 28.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.838 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.52 -31.6 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -104.26 -28.49 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 75.41 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 m -73.74 -30.49 62.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 64.1 111.186 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.498 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -50.03 -59.59 6.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 74.33 110.884 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.5 Cg_endo -69.7 -14.43 36.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 74.21 112.408 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.14 -57.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 65.14 111.117 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.21 -43.19 87.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.034 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -60.08 -23.34 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.913 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.77 -30.54 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 75.33 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.13 -50.35 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 63.34 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.47 -24.05 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -53.91 52.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.859 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -77.27 -30.38 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.3 4.3 31.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 65.34 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.73 31.04 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.71 39.13 6.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 54.15 112.494 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.66 105.04 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.335 . . . . 75.44 110.907 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -81.06 -21.75 39.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.942 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 t -51.79 -51.95 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.867 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.25 -42.57 36.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 75.54 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.0 mt -58.6 -25.16 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.33 111.173 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 6.72 47.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.887 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.27 -17.28 58.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -133.93 27.42 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.833 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 40.97 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 61.1 40.36 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.935 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -51.67 -33.39 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.68 44.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.088 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.02 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.17 -49.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.152 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.44 -29.94 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.853 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.89 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.83 -35.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.136 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.21 -34.75 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -76.26 -54.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.865 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.36 -54.29 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.4 111.048 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.903 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 73.34 111.098 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -77.57 -22.97 50.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -115.9 -24.22 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.845 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.49 -26.18 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.34 110.94 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -90.0 -25.81 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.67 -34.43 73.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.864 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -26.76 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.849 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.82 -28.05 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.02 -32.75 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.5 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.05 111.094 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.8 mtp -81.19 -28.97 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.6 6.49 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -139.59 48.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.15 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.2 110.93 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.876 0.37 . . . . 75.43 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.33 -25.98 65.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.15 -40.3 90.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.896 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.8 99.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 53.42 111.107 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.89 -21.41 57.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.895 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.82 -38.82 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.35 110.853 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -77.56 -34.43 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -74.89 -44.69 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.24 111.172 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.29 -26.77 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -65.14 -39.68 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 12.5 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.08 75.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.867 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 mt -130.42 131.28 23.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 75.31 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.25 32.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.744 2.296 . . . . 72.41 112.316 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -67.82 -9.9 48.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 65.13 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.81 -23.96 55.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -25.24 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.904 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -75.98 -37.19 58.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.158 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.552 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.9 mmm -49.08 -56.74 14.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 64.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.81 -15.48 36.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 74.11 112.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -81.52 -56.01 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.06 -44.44 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 64.55 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -60.39 -23.39 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.822 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -30.17 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.28 -51.28 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.9 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.84 -24.07 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.887 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -53.8 53.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.826 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -77.47 -29.58 52.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.53 3.88 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 65.3 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.76 19.93 37.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.51 5.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 73.13 112.485 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 103.57 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 73.33 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -81.54 -21.78 38.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.9 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -51.24 -50.64 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.14 110.875 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.03 -43.21 24.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.9 mt -58.25 -24.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.197 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.3 -2.41 39.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.925 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.01 -27.54 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.943 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.73 24.33 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.813 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.7 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 61.43 40.33 14.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.933 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -51.76 -30.5 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.45 111.132 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.77 -36.82 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.53 111.098 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -33.77 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.884 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.64 -49.65 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 73.43 111.089 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.02 -29.74 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.47 -57.19 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.15 111.073 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.86 -38.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.172 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.42 -33.45 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.966 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 t -76.52 -55.09 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 70.11 110.799 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.02 -53.58 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.081 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.862 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 65.13 111.083 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -67.5 -29.84 69.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 74.5 110.973 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -137.54 18.46 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.87 -30.87 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.3 110.881 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -24.81 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.9 -30.18 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -35.0 33.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.92 -26.02 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 65.04 110.95 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -54.65 -34.07 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.909 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -25.14 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.135 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.3 mtp -81.51 -43.92 18.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.72 -26.46 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -96.41 24.19 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.19 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 61.33 110.88 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 75.21 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.61 -34.06 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -50.76 -34.78 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.911 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.12 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.41 -21.37 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.934 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -78.05 -32.97 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.831 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -74.73 -43.72 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.149 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -54.24 -26.02 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -64.28 -37.63 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.879 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.56 15.06 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 65.41 75.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 74.4 110.9 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.02 118.47 13.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 72.24 111.182 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 135.05 29.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 73.04 112.367 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.44 -20.06 27.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.87 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.08 -28.27 68.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.808 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -109.49 -26.07 10.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 m -76.41 -34.36 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.3 111.18 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.547 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 10.8 mmm -49.29 -57.15 12.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.499 0.666 . . . . 74.52 110.848 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.1 Cg_endo -69.72 -15.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 73.4 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -81.53 -56.0 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 65.33 111.087 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.21 -44.61 97.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.937 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.25 -23.48 64.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -71.87 -30.28 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.09 -51.43 12.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.81 -24.2 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.11 -53.77 54.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.898 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.28 -29.53 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 3.84 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.2 111.063 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.49 20.74 39.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 71.43 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.69 40.63 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 71.24 112.439 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.6 103.59 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 73.41 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -81.68 -20.79 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -51.52 -50.7 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.35 110.905 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.56 -43.02 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 64.43 110.912 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.6 mt -58.19 -24.5 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 62.03 111.18 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -0.4 42.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 73.11 110.894 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.61 -25.79 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.938 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.92 24.59 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.44 40.58 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.875 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 61.38 40.27 14.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.897 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -51.54 -30.4 20.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 73.35 111.194 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.57 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.78 -34.06 77.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.917 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 t -64.13 -50.0 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.179 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.97 -29.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 64.22 110.888 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.19 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 62.21 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 mm -60.98 -34.87 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.01 111.115 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.3 -34.65 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.963 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -76.25 -54.7 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.69 -55.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.088 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.45 110.855 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.819 0.342 . . . . 72.12 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -35.26 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -118.09 -28.09 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.55 110.882 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.18 -26.1 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 74.52 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.01 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.891 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.66 -26.03 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.81 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.84 -31.76 66.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.952 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -63.39 -61.52 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.54 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.87 -25.62 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.845 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -33.46 65.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.151 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.0 mmm -55.01 -52.37 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.39 -26.37 65.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -123.6 66.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 73.24 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.93 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.885 0.374 . . . . 74.31 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.21 -23.06 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.44 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -76.69 -34.24 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.937 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.72 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.122 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.4 mt -71.07 -19.1 62.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.75 -42.19 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -77.68 -33.15 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.89 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.4 p -72.6 -46.9 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.05 111.13 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -55.37 -27.33 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.835 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -63.43 -40.61 97.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 75.41 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.78 14.59 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.35 74.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 64.42 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -132.75 130.85 21.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 75.33 111.139 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.02 41.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.666 2.244 . . . . 75.14 112.371 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -67.42 -10.96 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.05 -37.61 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.918 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -91.4 -29.09 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.896 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -72.65 -30.5 64.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.173 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.491 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.96 -59.98 5.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 74.54 110.851 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.4 Cg_endo -69.76 -14.47 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 71.11 112.374 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.76 -56.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.138 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.96 -41.2 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -60.5 -25.22 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.01 110.837 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.07 -42.58 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.866 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.416 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -74.61 -23.04 58.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 73.31 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -42.26 75.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.852 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.25 -46.01 18.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -18.47 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.52 111.059 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.86 12.21 72.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 64.22 112.449 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.416 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 102.9 40.59 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 64.2 112.43 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.57 103.9 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.4 110.848 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -81.39 -21.27 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.995 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -52.67 -54.58 31.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.847 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.69 -43.69 45.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.871 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.12 -30.55 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 71.25 111.159 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.39 1.58 54.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.902 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 tp -62.86 -16.4 58.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 65.31 110.983 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.87 26.98 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.883 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.3 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.906 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 60.57 40.8 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -51.58 -29.93 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.141 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.47 62.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.35 111.116 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.59 -35.36 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.874 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.02 -51.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.42 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -74.83 -29.83 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.831 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.48 -57.32 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.121 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.2 mm -57.86 -46.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 75.52 111.138 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.44 -30.64 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 71.34 110.956 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 -54.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.52 110.932 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.26 -53.25 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 75.34 111.105 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.2 110.946 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.764 0.316 . . . . 75.0 111.108 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.13 -21.92 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -114.55 -22.59 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.937 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -55.61 -25.97 41.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 61.25 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -33.17 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.902 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.82 -24.0 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.863 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm -70.72 -41.05 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.872 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.09 -25.07 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -80.94 -23.77 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 61.3 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -23.58 66.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.053 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtp -75.56 -41.72 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.92 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.26 -13.54 61.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.949 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 t -124.01 50.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 64.01 111.165 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.902 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.869 0.366 . . . . 71.1 111.174 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.85 -34.19 58.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.945 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -50.94 -35.15 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.856 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.92 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.144 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.43 -20.42 59.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.897 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -65.64 -42.26 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -77.15 -32.54 56.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.892 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -73.95 -45.14 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 72.2 111.156 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -53.97 -25.9 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 75.52 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.08 -37.78 86.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 12.67 26.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 73.51 110.942 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.0 75.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.3 110.85 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.8 mt -130.32 131.47 23.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 72.31 111.172 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 136.39 33.02 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 72.31 112.353 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.81 -9.82 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.89 -23.24 58.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.17 -25.41 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.8 m -76.3 -36.95 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.31 111.205 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.555 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.8 mmm -49.07 -56.78 13.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.542 0.687 . . . . 74.35 110.876 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.88 -16.02 36.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 74.44 112.248 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.8 t -81.64 -56.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 73.41 111.094 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -59.29 -44.55 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.931 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -23.48 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.866 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -29.88 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.74 -48.11 27.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.56 -24.37 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.929 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.19 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.908 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.46 -29.44 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.926 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.5 5.1 28.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.147 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.14 23.62 33.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.06 40.6 6.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.42 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.66 103.7 10.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 71.52 110.926 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -81.22 -20.96 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 75.13 110.888 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -52.24 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.828 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.67 -42.57 34.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.907 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.44 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 74.52 111.138 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.6 2.57 47.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.935 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.2 25.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.881 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 40.91 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.883 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 61.13 40.28 15.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.902 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -51.39 -31.33 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.42 -36.54 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.137 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.74 -34.07 77.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 70.15 110.974 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.6 -49.6 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.147 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.88 -29.79 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 -57.0 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 70.32 111.065 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -59.43 -37.92 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.3 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.5 -33.61 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.893 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -76.57 -55.0 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.85 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -53.6 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.01 111.169 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.55 110.856 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 74.14 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -30.69 71.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.833 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -141.3 20.01 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.882 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -88.81 -32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.882 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.29 -26.19 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.52 -33.69 46.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.891 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -54.91 -30.04 57.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.857 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -61.25 -26.93 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -60.69 -24.54 65.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.3 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.05 111.171 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mmm -73.65 -50.0 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -22.91 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.25 110.989 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -111.62 42.45 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 74.05 111.165 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 74.14 110.872 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.384 . . . . 72.24 111.154 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.74 -21.34 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 72.55 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -74.52 -31.94 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 64.43 110.925 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.42 61.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 70.33 111.078 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.29 -23.58 54.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -66.59 -35.84 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.845 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -78.65 -36.27 44.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.849 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -74.56 -45.16 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.35 111.172 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -53.81 -27.84 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.54 -40.68 97.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.59 14.27 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.895 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 63.96 73.09 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.84 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.7 mt -127.21 131.3 23.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 73.31 111.105 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.3 39.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 73.1 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.75 -10.31 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.895 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.55 -35.12 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.901 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -95.29 -30.38 13.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -73.56 -30.58 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.497 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.9 OUTLIER -51.12 -59.74 7.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 72.03 110.885 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.84 -14.53 35.96 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.6 2.2 . . . . 53.22 112.348 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.9 t -81.18 -57.13 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.101 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.19 -42.98 87.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.8 ptp -60.13 -23.56 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.892 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -30.14 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.834 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.71 -41.17 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.919 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.99 -23.75 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 70.52 110.924 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.5 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 72.42 110.944 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.82 -31.35 51.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.24 4.79 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.149 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.59 24.59 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 75.41 112.514 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.91 38.58 6.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 71.25 112.506 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.76 103.97 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 72.21 110.905 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -51.96 -52.22 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -76.71 -42.66 40.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.77 -26.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.55 111.174 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.01 7.29 46.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 75.54 110.877 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.36 -17.22 58.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.959 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.95 27.34 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 60.23 110.85 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.29 40.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.928 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 61.38 40.12 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.0 m -51.6 -31.83 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 65.21 111.128 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.23 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.54 111.084 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.24 -35.28 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.989 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.3 t -61.28 -50.64 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 60.4 111.111 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.864 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.55 -57.36 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 111.083 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mm -58.55 -45.88 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.14 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.72 -31.17 70.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -76.73 -55.01 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 74.45 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -62.32 -54.11 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.889 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.818 0.342 . . . . 61.5 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.39 -24.98 59.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.871 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 t -116.12 -23.67 8.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -58.27 -22.94 54.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mp -92.77 15.48 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.88 -26.87 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.865 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.7 mmm -68.42 -25.34 64.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 63.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -54.41 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -61.32 -30.23 70.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.5 -25.21 65.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.125 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.1 mmt -71.01 -39.62 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 70.25 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.77 -8.41 55.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 t -131.49 66.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.154 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.826 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.852 0.358 . . . . 65.32 111.15 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.5 mt -67.5 -29.64 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -62.25 -41.21 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.965 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.59 80.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.4 111.079 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.56 -19.93 65.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -67.05 -40.17 87.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.826 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -34.11 57.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.92 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -74.76 -46.78 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.17 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -53.63 -27.37 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.877 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.57 -40.24 96.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.934 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 12.28 21.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.69 74.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.845 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.15 131.4 23.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.678 0.751 . . . . 73.53 111.127 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.57 35.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 75.02 112.321 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -67.62 -10.16 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.72 -24.25 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -23.05 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.2 110.936 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.4 m -76.43 -37.64 56.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 71.12 111.203 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.569 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 13.3 mmm -50.9 -55.87 24.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 53.04 110.896 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.74 -17.22 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.27 . . . . 71.33 112.359 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -81.64 -47.79 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.097 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.86 -38.78 73.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 53.34 110.826 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.04 -24.79 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 73.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.12 -35.69 81.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.36 -41.88 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB3' ' HA2' ' A' ' 79' ' ' GLY . 2.3 mt -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.928 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.36 -50.47 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.855 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.5 -38.52 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.52 110.835 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.9 -16.09 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 64.42 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.58 -11.23 72.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.756 . . . . 65.51 112.469 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 74' ' ' LEU . . . 114.29 46.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 70.01 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.79 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 74.21 110.826 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.39 -26.69 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 63.52 110.924 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.3 t -53.56 -54.66 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.53 110.817 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -76.42 -39.31 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.63 -25.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 74.03 111.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 1.95 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 65.32 110.974 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tp -50.78 -30.05 13.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.947 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -121.01 27.13 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.886 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.93 3.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 71.33 110.895 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 62.35 38.0 13.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 m -51.83 -33.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 73.32 111.167 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.79 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.079 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.89 -34.17 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.0 t -65.3 -49.19 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -74.82 -29.82 61.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.844 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -57.38 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.137 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.02 -35.46 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.54 111.166 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.22 -34.72 74.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -76.33 -54.95 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.0 -53.58 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 74.24 111.163 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.912 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.798 0.333 . . . . 75.11 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.46 74.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 75.54 112.49 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -111.66 141.16 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 64.11 110.885 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -95.95 126.42 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.877 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -122.75 84.37 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 65.21 110.854 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -141.67 161.71 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.907 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -139.78 156.64 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.834 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -142.13 155.39 45.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.814 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -152.95 146.4 24.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.59 149.4 49.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 p -168.88 132.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.845 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -95.09 -37.83 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.03 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.55 62.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 65.2 112.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -70.67 125.71 27.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 64.53 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.28 156.17 75.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 73.12 111.15 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.02 15.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 74.34 112.36 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -143.76 145.84 32.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.51 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.92 144.8 12.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 73.12 112.466 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m -109.92 74.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 51.3 110.862 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -133.8 115.86 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.85 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mtp -121.08 113.92 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 tp -160.08 137.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 p -80.24 65.31 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.08 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.904 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -100.63 174.86 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.16 -157.43 9.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.72 . . . . 63.24 112.497 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 41.67 36.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.359 . . . . 72.15 110.928 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -140.36 -178.77 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -60.23 -172.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.812 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t 63.12 44.67 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.861 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.9 m -95.16 45.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.125 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -87.6 -12.12 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.21 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -113.22 -22.21 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.9 -26.27 46.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 62.23 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.46 -34.41 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.885 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -55.26 -26.39 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.843 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 ttt -55.42 -26.12 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.45 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.6 -41.07 96.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.874 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.3 -23.71 64.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 62.5 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.3 mtt -70.9 -34.12 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.47 -0.56 42.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.933 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -140.32 66.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.83 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.08 -174.89 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.17 -179.36 5.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 70.41 110.917 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.72 -42.09 74.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.952 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -32.49 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.24 110.939 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.7 t -57.91 -29.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 71.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.27 -21.42 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.01 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.15 97.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.128 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.2 -22.0 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.903 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.2 -46.11 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.925 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -32.66 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.869 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 p -69.4 -43.98 72.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.102 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -30.49 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.875 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.03 -42.27 84.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.35 11.67 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 t0 63.73 63.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.8 mt -117.33 131.39 24.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 73.21 111.115 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.76 41.09 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 75.2 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.8 -10.54 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.854 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.44 -38.21 63.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.78 -28.66 17.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.41 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -74.09 -30.12 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.72 -59.45 6.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 75.13 110.877 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.71 -13.22 34.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 74.43 112.385 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.4 -57.31 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -57.77 -43.78 85.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.967 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -60.05 -23.29 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.886 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -73.49 -30.33 63.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.74 -51.53 12.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.959 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.94 -24.14 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.924 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.9 -53.72 55.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.852 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -77.33 -29.76 53.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.3 4.63 30.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.056 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.92 23.66 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 64.12 112.477 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.8 39.47 6.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 73.4 112.496 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.63 103.99 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 74.55 110.889 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -80.85 -21.0 41.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.13 -52.47 51.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.891 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.28 -42.34 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.891 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.55 -25.16 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 73.2 111.113 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.63 8.25 45.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.907 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD21 ' HD2' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -63.12 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.912 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' HD2' HD21 ' A' ' 86' ' ' LEU . 2.3 m-20 -134.54 27.0 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.865 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.06 40.8 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 60.91 40.7 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.03 110.912 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -51.6 -30.42 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 75.14 111.142 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.52 -36.43 64.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.108 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.04 -34.45 77.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.942 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.27 -50.05 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 75.1 111.167 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.64 -29.85 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.852 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -56.99 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 71.43 111.129 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.2 mm -60.0 -37.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.1 -33.79 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.887 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -76.48 -55.06 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 55.14 110.82 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.87 -54.3 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -50.9 -31.17 16.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 54.41 110.896 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.78 150.04 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 52.11 87.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.85 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.59 -25.57 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.35 110.905 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -23.86 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -61.66 96.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.23 110.908 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -179.38 161.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.2 110.85 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -80.7 -56.37 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.19 -85.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 62.13 112.507 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 71.21 110.869 -179.78 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtm . . . . . 0 C--O 1.229 0.021 0 CA-C-O 120.82 0.343 . . . . 74.12 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.75 -108.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 74.23 112.511 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 58.34 48.23 12.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 72.43 110.84 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.2 p -135.7 129.59 32.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.937 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -127.09 167.78 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.816 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -100.28 148.22 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -110.86 161.37 15.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -163.99 -176.35 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -146.71 133.98 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.3 110.881 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -140.12 -179.71 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.835 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -97.32 156.46 16.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.848 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -113.55 167.17 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 70.05 110.855 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.62 -60.75 8.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 73.01 112.421 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp 56.93 41.19 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 72.22 110.892 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.75 156.18 62.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 71.51 111.124 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 178.84 4.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 74.32 112.35 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -170.58 129.34 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.905 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.6 82.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 61.54 112.401 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -125.22 143.6 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 72.43 110.852 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -106.81 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 ttt 55.05 51.04 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.87 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 tt -76.84 146.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.168 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -84.3 56.9 3.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 75.15 110.812 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -46.87 88.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.919 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.7 m -156.55 176.98 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.15 110.819 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.16 42.63 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.44 112.497 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 tp -116.31 -16.88 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 73.33 110.952 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.1 p -109.45 155.94 20.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 70.13 111.17 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m 59.86 25.72 14.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 72.05 110.881 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.1 p -59.09 -176.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 65.23 110.819 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.98 44.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 72.31 111.133 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.19 -25.89 63.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 63.15 110.878 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 m -116.56 -23.07 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.845 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.28 -45.88 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.77 15.41 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.982 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.94 -27.81 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.3 mtm -53.09 -41.68 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.8 -38.62 58.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.85 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -63.17 -22.47 66.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.922 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -22.58 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.6 mtt -76.0 -38.72 57.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.17 -18.15 60.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 62.4 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 t -118.13 66.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -83.33 -172.07 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.835 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.69 149.39 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.927 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.96 161.55 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 71.14 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.07 -43.91 90.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.921 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -32.64 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.937 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.45 -27.99 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.134 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -68.38 -21.45 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.51 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -73.45 -38.07 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 70.23 111.122 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.86 -21.3 56.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.75 -41.37 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -33.33 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p -74.36 -47.2 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.27 -27.3 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.36 -40.45 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.81 13.64 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.29 74.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.876 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -129.65 131.03 23.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 74.44 111.145 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.51 40.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.757 2.305 . . . . 71.31 112.335 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.68 -10.38 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.859 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -75.73 -32.76 60.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -30.95 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 64.21 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.1 m -71.15 -30.48 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.127 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.484 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -51.16 -60.53 5.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 62.51 110.895 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.69 -14.93 37.02 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.717 2.278 . . . . 72.11 112.362 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -80.04 -57.39 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 71.1 111.133 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.67 -45.04 90.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.946 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 mmt -58.37 -25.66 62.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.83 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -67.09 -30.2 70.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 70.23 110.943 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mt -75.33 -42.22 54.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.27 -23.93 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.943 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.12 -54.19 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -77.62 -30.96 52.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.862 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.77 3.98 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.25 111.12 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.4 24.26 29.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 74.41 112.414 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.27 39.0 6.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.51 112.535 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.7 103.86 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 74.01 110.852 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -79.92 -20.99 44.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.72 -53.26 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.812 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.4 -41.94 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.878 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.49 -26.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 75.52 111.095 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.03 8.52 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.85 -16.77 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.25 26.22 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.851 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.22 39.8 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 61.21 40.59 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 73.33 110.954 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.2 m -51.54 -33.03 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 75.43 111.126 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.86 -36.08 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.35 110.989 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.95 -34.59 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 74.4 110.952 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.23 -49.69 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.097 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -74.45 -29.76 61.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 54.31 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.24 -56.96 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.36 -36.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 53.21 111.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.19 -34.53 73.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 64.51 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -76.36 -54.97 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.895 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.29 -53.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 74.04 111.181 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -51.18 -31.1 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -65.96 -51.92 54.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.87 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.99 113.7 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.906 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.44 -36.81 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.915 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.89 -40.46 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.43 110.872 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -106.77 38.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 53.14 110.875 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -178.56 139.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.799 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.44 -68.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.69 -45.44 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 74.11 112.423 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 72.44 110.903 -179.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.844 0.354 . . . . 72.34 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.34 -62.51 1.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 74.4 112.444 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -108.64 108.22 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 75.45 110.834 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.4 t -80.52 -30.96 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.853 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -154.95 146.78 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.825 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -83.61 128.5 34.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.31 110.827 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -96.63 133.83 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.72 136.93 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 70.32 110.851 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -104.07 109.08 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 72.33 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -141.39 138.84 33.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 71.32 110.841 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 m -139.17 138.49 36.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.931 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -146.58 132.38 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.14 110.872 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.12 85.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 55.22 112.446 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.19 -55.86 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 71.33 110.954 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.7 156.01 2.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 64.02 111.078 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.678 2.252 . . . . 53.35 112.401 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -61.88 121.16 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 75.31 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.09 153.17 22.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 64.5 112.499 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -152.08 123.26 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 74.55 110.917 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -175.64 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 75.35 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.1 ttp -123.16 131.1 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.25 149.46 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 65.42 111.197 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -59.82 -56.41 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.864 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.3 39.4 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 61.31 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 t -148.06 139.87 23.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.03 49.86 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 71.13 112.49 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -126.68 13.66 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 74.35 110.919 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -106.76 169.49 8.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 62.33 111.102 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t -145.37 -177.08 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 64.32 110.885 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -168.81 -178.72 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.878 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -89.86 48.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.32 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.84 -24.17 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 62.55 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -116.19 -22.98 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.822 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.45 -44.2 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.847 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.0 15.48 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.46 -23.9 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.8 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -21.34 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 73.33 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.95 -24.99 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -54.38 -32.05 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.26 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 43.22 111.092 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.7 mtp -79.66 -33.83 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.76 -6.68 59.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.9 t -128.18 52.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.51 111.21 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -52.38 117.65 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 149.42 4.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.879 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.83 163.17 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.41 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.96 -42.05 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.858 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -31.26 71.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.875 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.4 -31.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.122 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.56 -32.43 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.912 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -51.07 -34.11 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.909 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.23 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.45 111.089 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.62 -20.41 55.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.928 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.58 -40.84 93.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.31 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.22 -33.3 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 p -74.18 -43.75 56.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 61.31 111.13 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -56.5 -26.3 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.869 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -65.24 -39.79 93.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.916 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.97 14.01 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.854 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.23 73.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.914 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -130.13 131.2 23.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.692 0.758 . . . . 72.45 111.15 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.78 138.8 38.61 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 61.41 112.348 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.78 -10.22 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.928 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.36 -37.72 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.34 110.949 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -91.46 -30.21 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.841 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.0 m -75.03 -30.31 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.076 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.13 -59.47 6.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 63.1 110.85 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.0 Cg_endo -69.71 -13.23 34.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 74.23 112.362 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.31 -57.36 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.115 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.75 -43.58 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ptp -60.19 -23.28 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.883 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -30.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.936 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.88 -51.57 12.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.909 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.12 -24.16 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.922 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.36 -53.82 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.835 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.04 -30.34 55.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.96 4.05 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.12 111.089 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.27 23.36 33.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 41.33 112.518 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.49 5.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 53.31 112.495 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.79 106.26 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 72.32 110.895 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -83.92 -20.19 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.924 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 t -52.82 -48.01 67.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 64.03 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.21 -42.71 18.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.472 . . . . 63.55 110.964 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.41 -26.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.097 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.02 7.41 46.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.969 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.26 -16.23 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.906 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.26 27.44 3.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.843 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.12 41.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.893 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 60.74 40.56 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 73.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -51.73 -30.42 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 75.34 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.1 -35.37 64.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 73.54 111.07 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.22 -34.34 76.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.29 -50.59 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.108 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.77 -29.84 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 74.51 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.36 -57.24 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.094 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.8 -45.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.134 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.66 -31.01 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.928 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -76.61 -55.14 5.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.8 t -62.38 -53.64 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.173 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -50.81 -31.06 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.827 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -58.88 -51.14 71.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 61.33 110.885 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -119.02 120.23 36.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.821 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -116.54 -47.17 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -78.06 -24.8 47.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.937 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -57.86 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.924 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -129.41 123.32 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 63.23 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -120.39 49.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 72.2 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.16 -138.74 7.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 74.24 112.501 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 73.14 110.9 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 73.51 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.42 -179.36 22.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 72.11 112.493 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -127.74 143.52 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 74.34 110.867 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.8 p -136.6 126.6 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.903 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -70.55 163.65 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 72.02 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -104.35 173.72 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 74.03 110.913 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -151.02 -177.97 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 55.15 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -152.58 128.15 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.83 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -152.27 142.99 22.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.838 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -166.47 127.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -121.31 143.32 49.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -163.11 126.04 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.785 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.44 157.56 9.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 71.41 112.462 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -126.73 161.96 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 73.42 110.933 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.41 156.22 36.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.65 0.738 . . . . 73.13 111.14 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.96 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 54.35 112.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -138.81 158.45 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 75.3 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.54 150.41 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 73.14 112.477 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 t -82.74 67.05 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 71.14 110.842 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -104.61 93.19 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 58.9 ttp -99.67 147.89 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.866 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.2 tp -172.72 148.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 65.55 111.051 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -77.57 61.16 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 54.11 110.834 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.9 45.87 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.86 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -54.82 121.45 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.891 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.17 98.18 0.94 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 64.53 112.442 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tt -109.99 -8.77 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 74.12 110.981 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -160.21 176.14 12.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.095 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -134.55 34.59 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.848 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -114.16 -171.3 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m -92.14 47.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -76.57 -23.42 53.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.815 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -115.44 -23.34 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.92 -28.39 64.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.05 15.42 18.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.837 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.1 mmm -53.7 -38.49 64.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.01 -24.93 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.936 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -88.17 -23.79 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.13 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.073 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtp -76.19 -40.84 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.68 -16.25 61.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.934 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.6 t -119.96 47.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.135 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.13 116.37 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 63.35 110.894 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 163.4 2.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.853 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -147.95 170.02 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.21 110.79 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -62.61 -42.73 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 72.44 110.911 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -32.6 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.925 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.96 -29.33 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.12 111.123 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.39 -25.41 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -64.08 -38.5 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.9 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 73.31 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.09 -21.22 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.29 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 64.22 110.898 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.61 -34.66 53.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.813 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -75.2 -44.81 44.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.079 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -54.47 -27.11 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 70.42 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.4 -39.45 93.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.856 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.57 13.23 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.12 74.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 43.34 110.872 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.0 mt -129.45 131.07 23.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 74.22 111.182 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 139.63 40.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.705 2.27 . . . . 75.4 112.349 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.54 -10.54 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 64.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -75.99 -32.11 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 65.43 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.99 -29.05 13.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 75.02 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -74.34 -30.9 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.1 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.511 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 1.3 mmt -51.08 -59.03 8.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.507 0.67 . . . . 53.24 110.874 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.99 36.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 71.03 112.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -80.79 -48.21 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.067 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.27 -37.76 74.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.16 -22.95 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.888 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.937 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.69 -44.72 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.881 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.8 -23.8 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.54 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.24 -51.61 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 70.21 110.833 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.16 -39.94 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.916 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.49 -14.39 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 45.41 111.109 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.88 -9.22 77.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 71.24 112.473 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.42 49.31 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 52.33 112.554 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 101.89 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.774 0.321 . . . . 61.04 110.842 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -72.57 -28.57 62.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -54.32 -44.49 72.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 71.05 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.87 -41.76 13.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.21 -26.97 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 71.21 111.155 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.17 2.25 42.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.893 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.1 tt -51.03 -30.01 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.884 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -123.52 28.25 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.843 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.0 41.1 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.48 38.1 10.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.922 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -52.26 -33.13 40.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 75.02 111.151 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.46 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.079 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.13 -34.08 75.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 73.5 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.97 -49.55 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.148 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.88 -29.94 61.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.872 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 -57.38 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.3 mm -58.85 -38.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.119 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.44 -33.11 72.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.1 t -76.56 -55.05 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 72.53 110.815 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.32 -53.73 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.136 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -50.69 -31.67 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 73.14 110.909 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -95.09 -173.67 3.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 62.22 110.808 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ASP . 11.6 pt-20 37.36 65.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.21 110.866 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -88.79 -25.6 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.887 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -27.88 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 63.42 110.906 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -85.47 72.42 10.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.941 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -133.32 77.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 75.24 110.83 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 49.24 46.93 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 61.43 110.841 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -98.65 169.82 23.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 54.41 112.483 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 54.33 110.885 -179.734 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 74.3 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.87 147.35 4.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 41.43 112.526 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -52.98 119.32 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 74.41 110.889 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t -168.34 128.6 1.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 61.53 110.815 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 t60 56.14 51.77 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 74.35 110.846 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -84.44 -26.09 28.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 61.72 47.74 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 65.22 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -150.76 143.34 24.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.813 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -133.76 150.01 51.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.856 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -76.25 100.67 5.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 61.15 110.902 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -82.74 154.75 24.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.829 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -147.96 150.16 33.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.51 110.902 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.37 112.3 4.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.438 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 tp -72.3 128.62 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 75.32 110.925 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.71 156.13 80.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 63.43 111.224 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 63.35 112.368 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -125.87 70.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.846 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.26 171.69 24.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.719 . . . . 72.31 112.507 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -99.35 174.99 6.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.421 . . . . 73.05 110.828 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.33 37.89 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 74.42 110.869 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.2 tpt -112.16 110.85 21.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 55.2 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.9 tt -134.59 137.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.55 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -78.82 63.57 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 75.35 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.77 -32.38 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.37 149.28 48.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 61.13 110.849 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.94 -41.65 0.16 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.437 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -105.02 11.95 32.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 73.54 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -83.61 105.71 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 72.24 111.117 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m 55.28 44.63 27.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.4 m -127.45 132.0 50.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 60.02 110.875 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 36.94 44.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 72.15 111.104 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -73.19 -25.79 60.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.877 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -116.31 -25.09 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 44.53 110.815 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.93 -25.94 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.77 -33.92 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.93 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -55.22 -26.56 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.859 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mmt -55.2 -29.33 57.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.886 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -77.19 -26.65 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.896 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.51 -24.23 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.936 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.5 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.177 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.2 mmm -76.59 -44.02 36.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.842 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.76 -19.77 64.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 t -114.4 43.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.04 111.16 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -51.76 118.06 3.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 63.45 110.856 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 173.39 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 75.22 110.875 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.31 176.47 8.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.836 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.01 -53.56 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 75.2 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.936 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.87 -33.34 49.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 73.14 111.148 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -58.84 -33.03 69.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 61.31 110.935 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -51.19 -34.68 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.885 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.03 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 64.3 111.108 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.41 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.952 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.35 -39.97 89.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 75.55 110.915 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -77.4 -33.49 55.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.11 110.874 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.5 p -74.7 -44.35 50.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.33 111.153 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -55.68 -26.66 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.937 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 73.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.849 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.5 mt -128.43 131.05 23.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 75.42 111.085 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 138.85 39.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 70.01 112.351 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -67.77 -10.33 51.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.29 -36.49 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.867 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 -30.25 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.904 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -73.43 -30.57 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.44 111.108 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.495 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -50.49 -59.75 6.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 64.42 110.831 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.42 35.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 75.05 112.391 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 t -81.23 -57.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.123 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.39 -43.19 83.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.9 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.9 ptm -60.69 -23.71 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.869 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -30.22 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.09 -49.61 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.41 -23.99 67.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.939 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.11 -53.99 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -77.4 -30.9 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 4.23 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.045 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.44 23.98 29.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 54.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.74 41.24 5.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 61.15 112.441 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.48 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 75.34 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -82.73 -20.51 35.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -52.74 -53.27 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 72.2 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -76.05 -44.38 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.915 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.37 -31.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.126 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.59 -10.04 38.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.909 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -29.92 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.7 23.39 12.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.43 40.36 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.942 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 61.12 40.55 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.942 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 m -51.39 -32.57 26.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 50.53 111.133 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.17 -36.35 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 72.35 111.123 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.886 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.88 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.95 -29.75 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.851 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.15 -57.42 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.3 mm -58.5 -35.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.171 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.43 -33.99 73.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.914 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -76.33 -54.94 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 71.32 110.931 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.6 -52.7 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 74.31 111.088 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.77 -31.41 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.56 -51.81 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.905 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -121.92 120.39 34.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 52.51 110.895 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.99 -23.81 11.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.845 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -40.16 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 49.87 30.7 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.02 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 t -179.72 141.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.807 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.85 -176.13 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.515 . . . . 73.34 110.844 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.99 -100.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.717 . . . . 75.21 112.529 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 63.32 110.822 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.795 0.331 . . . . 55.12 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.24 -163.2 26.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 65.31 112.502 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -75.72 168.44 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 62.12 110.882 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.438 ' HB2' ' HE2' ' A' ' 7' ' ' HIS . 15.8 m -144.85 -177.96 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.802 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -137.34 168.3 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 75.33 110.86 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 61.69 47.12 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.803 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 4' ' ' SER . 37.6 m170 -69.62 141.21 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 72.13 110.833 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -127.5 30.64 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 63.22 110.852 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -64.19 160.01 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.904 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -132.39 179.93 5.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 p -139.68 122.43 16.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -102.13 -50.38 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 63.24 110.879 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 108.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 64.32 112.55 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -149.81 147.39 27.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 74.41 110.921 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.45 156.2 77.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 63.51 111.111 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 177.35 5.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.636 2.224 . . . . 71.24 112.344 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -125.38 122.53 37.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.76 -151.75 18.68 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 63.24 112.465 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -161.99 111.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.378 . . . . 74.01 110.843 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -105.31 -31.52 9.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.8 tpt -107.72 112.17 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.13 110.883 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 tp -121.22 142.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 63.43 111.081 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -78.6 60.11 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.1 -43.3 74.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -59.23 133.12 55.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 41.43 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.86 -52.97 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 73.11 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.42 11.08 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.391 . . . . 72.42 110.93 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.6 p -73.14 159.53 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.157 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -65.58 157.69 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.919 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -124.37 -169.87 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 74.35 110.918 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -94.06 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.24 111.141 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.693 ' HE2' ' HB3' ' A' ' 106' ' ' SER . 11.2 pt-20 -77.48 -23.38 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.89 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m -114.24 -21.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.928 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -58.27 -24.72 60.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 71.44 110.907 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.0 15.46 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.26 1.43 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.76 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -40.28 29.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.66 -25.95 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 73.55 110.918 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -79.96 -23.76 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.85 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.108 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.44 -32.5 48.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.96 6.06 34.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 t -142.73 52.2 1.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -51.87 117.86 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.934 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.67 166.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.889 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -131.64 -179.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.86 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.24 -41.66 76.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.01 110.908 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -32.61 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.86 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.14 -28.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.22 111.173 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.31 -24.49 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.88 -38.58 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.33 110.954 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.093 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.93 -21.12 57.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.893 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.42 -43.08 91.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.52 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -77.29 -32.69 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.873 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -73.12 -46.69 49.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 71.44 111.104 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -56.06 -27.05 51.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 74.02 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.77 -40.5 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.914 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.22 15.55 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.94 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 64.32 74.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.892 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.98 124.58 17.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 74.01 111.16 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.19 29.89 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.726 2.284 . . . . 74.23 112.366 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -19.1 37.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 65.15 110.802 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.37 -42.58 98.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.33 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -89.54 -29.43 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 73.52 110.92 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.4 m -73.04 -30.52 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.095 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.488 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.57 -60.06 5.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 71.35 110.863 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.72 -12.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 62.24 112.364 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.45 -57.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.121 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.79 -43.77 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.876 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.6 ptm -60.08 -23.41 63.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -30.39 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.875 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.67 -51.59 12.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 71.33 110.941 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.47 -24.18 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.04 110.948 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.13 -53.74 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.944 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.37 -29.83 53.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 75.5 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.33 4.57 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.41 111.078 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.99 31.89 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 72.22 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.45 39.33 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.823 -0.703 . . . . 73.12 112.506 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.69 104.94 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 74.55 110.818 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -81.33 -20.71 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.42 -52.87 51.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.44 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -76.81 -42.26 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 75.04 110.862 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.55 -25.45 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 75.3 111.139 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.74 7.97 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.807 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tt -62.87 -16.73 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.75 27.46 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 52.21 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.19 40.92 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.24 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 61.25 40.32 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.848 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -51.98 -29.53 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 75.5 111.164 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.64 -35.03 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 72.12 111.099 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.42 -34.95 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.52 110.852 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.89 -50.9 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 64.11 111.188 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.08 -29.83 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.25 -57.26 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.34 111.18 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.2 -46.75 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.33 111.131 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -60.81 -29.89 69.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 72.52 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.6 t -76.3 -54.38 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.832 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.54 -52.07 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.22 111.139 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.65 -31.47 16.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.58 -64.57 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.882 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -107.51 123.07 47.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -120.65 -33.85 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -99.56 -25.69 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.887 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -77.3 62.81 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.693 ' HB3' ' HE2' ' A' ' 32' ' ' GLU . 15.1 t -179.1 160.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 53.21 110.841 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -136.94 -176.12 4.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.905 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 110.97 -167.63 12.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 71.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 71.41 110.846 -179.73 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 mtp . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.941 0.4 . . . . 75.45 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.95 -92.38 2.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 61.33 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -107.97 141.13 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 60.03 110.793 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -70.35 123.93 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 62.54 110.818 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -133.61 155.56 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.32 110.817 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -134.06 144.78 48.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 70.3 110.822 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -82.05 88.67 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.823 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -109.35 -27.93 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -107.69 165.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.878 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -86.8 74.37 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.819 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 p -77.99 159.76 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.808 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 m 61.34 44.83 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 72.44 110.84 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.75 112.07 3.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 72.51 112.479 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.14 165.54 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.373 . . . . 75.5 110.879 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.48 156.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 74.13 111.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 174.27 9.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 75.24 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -120.92 95.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.9 98.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 60.31 112.491 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -175.46 159.03 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 75.13 110.864 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -52.06 125.5 15.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.796 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 mtt -104.66 -54.07 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 64.44 110.877 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.59 138.14 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.137 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 t -83.85 65.27 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 70.31 110.816 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.85 -26.85 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.932 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -94.97 100.99 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.53 110.813 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.61 103.86 1.5 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 73.14 112.543 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -113.94 11.95 17.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 74.42 110.863 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.57 ' HG1' ' HE2' ' A' ' 32' ' ' GLU . 80.6 p -74.9 175.98 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.222 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -59.11 -176.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 74.44 110.885 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.2 t -107.79 172.73 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.857 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.8 m 37.1 43.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 73.21 111.089 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HE2' ' HG1' ' A' ' 28' ' ' THR . 14.6 pt-20 -79.74 -21.67 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.846 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -116.09 -17.88 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.9 -25.31 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.865 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -30.01 21.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.884 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -31.0 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.882 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 mmm -52.03 -31.02 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.871 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.44 -47.67 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 65.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -73.02 -24.12 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -22.83 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.45 111.109 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.03 -49.16 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.3 -22.05 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.91 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -103.31 -22.37 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.21 111.185 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.61 111.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.53 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -51.68 163.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.932 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -145.98 148.13 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.916 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -57.81 -47.13 83.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.834 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.5 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.05 -39.17 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.18 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.98 -24.62 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.964 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -61.04 -32.47 72.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.847 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.07 78.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.02 111.127 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.09 -21.38 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.23 -40.98 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 75.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -77.04 -33.18 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.897 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -74.45 -43.22 57.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 72.3 111.136 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -57.94 -26.38 62.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -65.37 -40.05 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.837 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.51 14.34 17.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.856 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.39 74.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.859 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -130.64 130.62 22.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 75.01 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.35 39.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.241 . . . . 75.53 112.283 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -67.75 -10.38 52.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.873 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.68 -40.34 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.25 -27.5 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.912 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -73.1 -30.45 63.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.494 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.68 -59.9 6.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 74.1 110.869 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.7 -14.78 36.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.744 2.296 . . . . 74.03 112.373 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.08 -56.95 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.189 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.07 -43.04 86.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 75.22 110.893 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.3 ptm -60.21 -23.55 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.82 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -71.6 -29.64 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.31 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.21 -40.16 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 74.42 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.28 -23.18 62.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -60.99 -50.65 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -77.07 -42.92 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.43 -2.82 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 64.02 111.084 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.9 22.6 62.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 65.33 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.59 36.9 5.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 61.41 112.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.84 106.35 13.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 72.32 110.917 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -80.8 -22.68 39.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -51.88 -52.42 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.877 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.64 -42.99 40.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.36 -24.62 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.488 . . . . 75.13 111.11 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.96 -0.34 42.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.857 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.73 -25.5 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.05 26.39 7.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.15 110.89 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.78 42.95 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 60.76 41.92 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.1 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -55.94 -29.94 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.15 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.72 -36.73 65.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.09 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.05 -34.15 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.04 -49.03 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.133 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.4 -29.82 61.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.854 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 -56.97 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.62 -40.19 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.134 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.61 -32.61 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -76.5 -54.82 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.826 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.11 -54.07 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.54 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -50.95 -31.0 16.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.53 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.9 -68.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.1 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.536 ' HE2' ' H ' ' A' ' 107' ' ' GLU . 3.1 pp20? -115.83 136.88 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.899 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -135.92 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -92.99 -10.91 34.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 71.1 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -71.59 -9.25 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 62.51 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 t 51.89 56.43 7.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.536 ' H ' ' HE2' ' A' ' 102' ' ' GLU . 19.9 tt0 -118.18 -29.71 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -128.2 128.09 5.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.471 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 73.22 110.862 -179.716 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 72.52 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.59 121.35 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 70.21 112.537 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -71.23 156.77 39.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 74.23 110.852 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t -117.67 115.71 25.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.864 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -89.55 174.35 7.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 70.05 110.869 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.71 156.38 25.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.893 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -122.03 179.29 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.815 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.15 41.85 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.31 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -61.86 134.25 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -125.89 126.79 44.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.888 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -108.67 121.32 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.853 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -80.72 163.33 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 63.22 110.842 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.76 129.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.791 -0.719 . . . . 53.11 112.481 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -163.74 119.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 74.43 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.48 156.19 78.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.675 0.75 . . . . 74.54 111.106 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 102.92 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.726 2.284 . . . . 63.03 112.357 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.08 103.95 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.829 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.45 -166.41 30.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 52.43 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 m -147.69 133.63 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 74.24 110.888 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -141.53 139.0 33.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.839 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mmt 58.68 54.35 5.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.928 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.9 tp -93.05 148.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 71.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 t -54.62 -26.08 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.786 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.32 48.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.947 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -70.79 127.9 34.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.913 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.9 57.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -99.39 -169.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 73.43 110.92 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -45.92 109.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 75.22 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -51.93 166.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.845 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.4 t -135.59 -171.3 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.87 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 37.01 44.08 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.41 -27.99 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.939 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -132.25 15.49 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 51.35 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -88.89 -25.66 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.851 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.63 15.48 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 75.03 110.898 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -79.46 -28.3 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.844 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mtm -63.43 -20.43 65.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.874 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -51.76 -34.08 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 75.33 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -57.56 -33.3 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.36 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.079 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.0 mmm -54.36 -49.11 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.87 -18.27 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.992 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -131.46 66.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.151 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -71.5 -171.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.947 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.59 167.94 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.938 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.24 164.58 16.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.845 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.86 -43.38 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -30.88 71.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 62.14 110.893 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.26 -33.28 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.01 111.064 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.66 -31.34 69.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.925 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -50.63 -33.44 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 72.52 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.42 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 75.14 111.069 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.88 -19.79 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 75.3 110.892 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -66.13 -40.36 90.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.88 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -33.58 55.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.876 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.5 p -74.51 -46.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 72.55 111.131 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -54.19 -27.29 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.89 -40.69 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.945 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 14.86 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.95 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.27 73.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.3 110.937 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mt -130.25 131.01 23.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 72.02 111.072 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 138.77 38.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 70.14 112.349 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -67.71 -10.31 51.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.6 -37.36 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.869 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -92.38 -30.39 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m -74.78 -30.73 61.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.245 -0.434 . . . . 64.53 111.136 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -50.62 -59.16 7.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 73.24 110.855 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.75 -15.41 37.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 71.43 112.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 t -80.71 -56.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.141 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.86 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.887 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -68.92 -25.22 64.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.824 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -62.77 -30.77 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 73.42 110.865 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mt -81.12 -49.77 10.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.912 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.34 -22.37 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.13 110.941 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.75 -52.77 18.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 74.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.66 -38.4 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.851 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 -9.75 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.32 -12.35 62.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 65.24 112.499 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 46.51 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 63.4 112.531 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.3 100.7 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 71.53 110.843 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -69.01 -30.57 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.899 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -54.74 -54.81 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.789 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.51 -37.64 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.959 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.18 -24.75 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 70.55 111.168 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -1.22 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -30.97 12.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.848 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -119.53 26.1 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.55 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.49 43.97 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.846 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 61.64 33.97 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.962 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.4 m -51.65 -33.71 34.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 75.34 111.085 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.04 -36.15 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.24 111.127 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -35.62 80.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 71.11 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.7 t -62.62 -49.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 64.31 111.09 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.04 -30.98 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.89 -57.57 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.32 111.081 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 mm -56.58 -46.64 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.095 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -60.74 -30.53 70.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 74.2 110.886 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -76.5 -55.38 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.48 -51.37 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 74.1 111.166 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.95 -31.38 17.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.812 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -53.94 -46.81 71.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.828 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.62 125.66 29.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.851 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -115.49 -52.88 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -95.32 -30.92 13.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -52.05 157.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t 58.51 63.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.851 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.48 144.05 42.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 71.2 110.852 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.52 -77.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 72.25 112.537 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 72.42 110.856 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.779 0.323 . . . . 74.13 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.84 149.71 6.79 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.71 . . . . 64.22 112.571 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -149.71 135.36 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 72.11 110.854 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 m -142.8 141.55 31.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 75.44 110.839 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -113.31 150.05 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.13 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -126.53 149.72 49.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 73.55 110.848 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -139.01 119.41 13.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.2 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -109.71 145.03 37.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 72.41 110.877 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -113.24 141.47 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.79 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.17 85.41 6.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.922 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 143.59 51.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.846 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -71.41 165.84 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.845 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.91 -132.27 11.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 70.32 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 54.21 37.75 27.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.33 . . . . 72.35 110.861 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.58 156.02 2.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 74.12 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.713 2.275 . . . . 74.21 112.279 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 162.83 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.933 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.2 106.24 1.94 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 62.54 112.499 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 p -128.51 141.76 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 65.54 110.871 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -122.3 30.42 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.17 155.53 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 75.54 110.843 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 tp -166.94 145.36 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.097 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -78.46 59.79 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.83 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -60.03 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.892 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.1 t -94.78 55.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.901 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.52 75.03 0.41 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 74.31 112.478 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 41.66 36.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.386 . . . . 73.53 110.899 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.7 p -126.81 -37.0 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.156 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -170.22 141.41 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.864 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -69.06 -173.69 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 74.25 110.932 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.6 m -98.0 38.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.167 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -73.65 -23.9 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 m -113.64 -21.91 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.44 -26.3 41.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.74 -25.84 66.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 72.42 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.482 ' HD2' ' NE2' ' A' ' 39' ' ' GLN . 12.1 t70 -53.0 -29.11 27.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.893 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 ttt -52.67 -29.39 26.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -56.18 -25.4 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' NE2' ' HD2' ' A' ' 36' ' ' ASP . 19.8 mt-30 -54.48 -33.76 60.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 54.35 110.914 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.55 67.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 55.22 111.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.39 -44.63 28.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.02 -30.16 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.2 t -99.72 30.93 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -102.86 0.06 32.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 172.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.24 110.908 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -142.75 178.05 7.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 71.33 110.891 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.12 -41.91 81.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 72.15 110.918 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -32.59 69.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 72.34 110.801 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -57.28 -29.18 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.209 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.9 -21.32 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.888 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -71.01 -37.05 72.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.97 99.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.076 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.98 -23.65 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.64 -52.39 65.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -32.27 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 74.14 110.867 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.4 p -74.26 -31.33 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 72.43 111.118 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -68.07 -35.83 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.868 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.31 -36.03 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.829 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mt -87.79 6.57 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.898 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 65.43 75.88 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 mt -137.37 131.02 17.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.65 0.738 . . . . 72.22 111.083 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 139.72 40.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.47 -10.74 54.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.08 -31.75 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.926 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.57 -25.11 14.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.808 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -74.99 -30.41 61.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.118 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.69 -58.98 7.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 74.21 110.882 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.78 -15.15 36.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 2.233 . . . . 74.41 112.316 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -80.81 -50.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.182 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.28 -39.6 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.901 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -68.67 -23.21 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.9 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -65.4 -30.56 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mt -83.49 -43.08 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.933 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.26 -23.87 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.909 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.86 -52.54 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -77.28 -39.26 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.39 -12.47 60.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 61.33 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 -9.51 71.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 73.01 112.515 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 50.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.15 112.481 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.35 101.98 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 75.44 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -72.58 -27.84 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 t -55.89 -44.09 77.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.31 110.839 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.06 -37.89 17.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 75.52 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.99 -26.0 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 74.1 111.113 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -0.64 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.949 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -31.51 13.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -119.35 26.64 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.811 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.95 40.96 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.911 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 63.43 37.62 10.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.919 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -51.5 -33.33 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.94 40.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.076 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.56 -33.97 76.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.914 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -65.1 -49.08 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.17 -30.06 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.3 -57.39 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.127 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.0 mm -58.41 -36.32 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.094 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.16 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 t -76.43 -54.93 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.88 -54.9 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.112 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -50.91 -31.01 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.941 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -53.24 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -125.69 122.42 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.952 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -115.89 -22.25 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.42 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 -6.07 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.936 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 54.36 92.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.883 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 m -159.01 -175.85 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -116.29 85.08 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 72.22 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.17 -98.75 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 43.42 112.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 62.45 110.832 -179.743 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mtp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.863 0.363 . . . . 73.44 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.39 111.86 0.46 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.707 -0.758 . . . . 70.35 112.488 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -132.37 108.96 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 73.14 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 t -154.19 149.3 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -81.51 112.29 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.891 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -118.38 126.34 51.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -109.29 149.72 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -128.93 135.28 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.835 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -105.09 176.86 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -125.73 149.12 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -106.97 149.96 26.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 61.41 110.822 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -128.65 141.27 51.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.21 109.95 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 63.53 112.446 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 15' ' ' VAL . 16.9 tp -113.77 -60.23 1.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.819 0.343 . . . . 75.22 110.96 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER 57.17 160.7 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.703 0.763 . . . . 73.51 111.065 179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 113.54 3.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.24 . . . . 73.52 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -104.03 -74.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.851 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.79 143.09 11.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.15 112.492 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 m -94.05 -36.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 71.21 110.854 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.59 177.63 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.72 148.26 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -134.81 154.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 63.43 111.164 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 m -53.26 -28.5 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.867 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.54 -27.72 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.891 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.7 p -135.11 129.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.63 86.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 54.25 112.527 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 tp -116.44 -16.8 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 75.42 110.847 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 p -101.47 165.77 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.41 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -106.38 -170.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.93 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 m -111.73 177.83 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.41 110.848 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.81 45.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.527 . . . . 74.21 111.125 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.97 -25.13 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 t -116.03 -23.53 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 62.34 110.859 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.79 -23.31 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.881 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.69 15.5 14.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -77.74 -25.97 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.861 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.14 -43.66 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -54.19 -35.4 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.24 -23.15 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -19.78 60.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.25 111.098 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.3 mmm -85.33 -43.66 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.848 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.46 -26.27 63.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.956 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.9 t -97.56 36.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.178 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.45 118.17 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.903 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 152.23 28.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.88 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.3 166.35 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.825 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -61.72 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -32.51 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.931 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.6 t -56.67 -27.45 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.12 111.097 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.98 -21.28 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.888 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -74.88 -37.17 62.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.43 98.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 75.42 111.079 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.58 -20.4 55.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -41.78 87.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.13 -33.19 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -74.19 -47.61 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 75.53 111.157 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.36 -27.82 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.04 -40.65 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.865 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.37 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 73.1 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 64.3 74.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mt -130.04 131.17 23.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 74.23 111.112 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.0 41.81 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.719 2.279 . . . . 73.41 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.82 -10.42 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 54.42 110.81 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.59 -34.0 60.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 65.54 110.912 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.08 -30.76 12.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.861 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -70.98 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.481 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 1.4 mmt -50.54 -60.7 4.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.569 0.699 . . . . 71.43 110.878 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.8 -14.17 35.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.752 2.301 . . . . 71.12 112.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.84 -57.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.79 -44.59 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 70.02 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.16 -26.26 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.92 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.44 -30.19 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.865 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.03 -42.49 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.871 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.07 -23.78 65.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.884 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.62 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.71 -31.07 52.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.891 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 3.81 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 54.23 111.078 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.49 23.98 29.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 71.44 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.92 38.71 6.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.466 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.75 104.03 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.361 . . . . 72.31 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -79.6 -22.31 43.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.99 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -52.44 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.837 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.41 -41.86 38.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.06 -26.31 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.36 8.07 44.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.947 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.51 -17.27 59.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.874 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.0 26.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 110.876 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.76 39.78 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.955 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 61.32 40.5 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.917 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -51.47 -33.04 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 65.02 111.15 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.65 -35.8 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.089 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.52 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.97 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.146 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.51 -29.74 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.916 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -56.96 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.103 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.77 -37.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.34 111.13 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.18 -33.82 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -76.5 -54.98 5.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.093 -0.503 . . . . 61.14 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.71 -53.55 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.189 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -50.96 -31.4 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.23 163.76 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 62.35 110.814 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 51.64 71.89 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 64.33 110.858 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.83 -25.22 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -11.48 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.909 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -61.06 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.11 110.883 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -52.45 -41.71 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.841 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -128.54 151.2 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -170.01 -59.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 74.25 112.5 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 71.0 110.853 -179.708 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 75.15 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.58 73.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 45.25 112.438 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -69.64 117.76 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 63.3 110.88 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.0 p -97.28 135.17 39.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.785 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.15 115.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -141.21 -178.45 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.866 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -167.33 153.41 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -139.25 138.33 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 70.25 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -156.71 145.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -134.25 157.62 45.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.842 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -170.98 151.72 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.887 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 p -149.8 132.92 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 62.41 110.858 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.85 -176.44 14.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.1 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -118.79 -175.06 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 73.33 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.75 156.21 73.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 74.12 111.113 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -171.27 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.631 2.22 . . . . 75.33 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 172.45 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.931 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.65 166.3 50.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 54.21 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -112.27 168.84 9.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 63.12 110.801 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.13 172.99 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 64.31 110.868 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -124.89 90.84 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.32 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 tp -71.55 141.34 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 73.34 111.169 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.6 p -81.38 57.83 3.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.799 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -63.16 1.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.939 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -75.41 178.15 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.823 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.21 -171.29 42.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 75.52 112.481 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -158.15 162.7 37.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 75.52 110.931 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -55.47 175.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 71.31 111.072 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -52.35 111.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.4 t -115.02 155.35 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.843 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.8 m 36.99 43.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 74.15 111.216 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.11 -17.17 35.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -114.22 -20.68 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.55 -28.86 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.01 15.39 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.911 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.07 -27.99 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.933 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 ttm -76.8 -25.7 53.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -20.68 60.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 73.44 110.896 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -51.89 -57.55 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.54 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 61.2 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.4 -25.35 50.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.2 -9.02 59.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 75.22 110.945 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -67.89 0.93 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.19 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 53.25 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.944 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.16 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.909 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.29 164.19 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.925 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.84 -47.19 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.24 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -31.63 65.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.06 -32.16 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.44 111.086 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.873 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -51.53 -31.44 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.862 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.35 68.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.05 111.088 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.14 -20.02 56.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.958 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.87 -43.0 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.935 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -77.59 -32.84 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 74.34 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 p -72.17 -46.33 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.13 111.113 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.33 -27.1 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.21 -40.24 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.958 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.66 14.07 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 74.44 110.915 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.72 73.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.824 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.0 130.85 22.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.34 111.145 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.99 39.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 52.22 112.353 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -67.71 -10.3 51.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 74.52 110.787 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.1 -38.19 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.862 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -28.94 17.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.1 m -73.8 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.503 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.1 -59.32 7.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.677 . . . . 72.43 110.887 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.72 -13.07 34.25 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 71.22 112.303 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.8 -57.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 55.52 111.125 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.85 -43.38 85.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.52 110.851 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -23.64 63.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.898 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -29.98 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.41 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.72 -51.36 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.01 110.98 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.75 -24.17 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.91 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.23 -53.66 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 74.11 110.922 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.0 -30.39 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.868 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.91 4.02 31.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.106 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.57 23.1 34.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 73.41 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.38 39.84 5.89 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.81 -0.71 . . . . 74.21 112.516 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.58 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 75.11 110.88 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -82.18 -20.28 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.864 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.37 -42.82 24.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.81 -27.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 72.24 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.26 -0.87 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.835 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.14 -23.88 37.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 75.25 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.76 25.17 7.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.863 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.68 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.864 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 61.15 40.53 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.936 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -51.62 -33.57 33.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.507 . . . . 73.15 111.16 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.46 -35.97 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.079 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.4 -34.52 77.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.64 -49.47 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.44 111.191 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.85 -29.89 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 63.55 110.904 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.46 -38.93 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 75.34 111.166 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.57 -33.18 72.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.93 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -76.36 -54.88 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 65.13 110.88 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.83 -54.37 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.123 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -50.91 -30.93 16.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.76 -74.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.843 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -92.2 134.59 34.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.922 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -131.88 -41.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.86 -27.36 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -65.87 -176.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.1 153.49 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.836 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -79.1 -48.46 14.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -131.37 -122.12 2.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 64.13 112.504 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 65.15 110.872 -179.79 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 75.25 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.34 -123.02 2.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 70.42 112.466 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -88.46 -176.56 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 74.54 110.834 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 p -74.93 178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.852 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.21 178.39 4.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 72.03 110.816 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -141.26 176.76 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.884 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -98.36 -177.52 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -149.65 158.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.858 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -101.68 -179.58 4.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.877 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -120.02 -178.75 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.896 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -138.45 -174.9 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 74.33 110.815 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 p -153.07 124.78 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.892 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.59 -135.38 7.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 70.33 112.476 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.37 174.44 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 71.32 110.937 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -149.17 156.16 40.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.724 . . . . 75.32 111.168 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.17 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 74.14 112.309 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 137.13 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.64 102.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 74.22 112.521 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -133.14 110.6 10.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 71.22 110.876 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -79.54 157.65 27.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.863 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.5 mtm -135.12 88.07 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 65.35 110.869 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 tp -121.07 143.41 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 72.45 111.167 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.6 m -52.14 -59.68 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 tp 60.45 33.46 20.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.942 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.4 p -170.21 173.29 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.927 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.42 69.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 73.51 112.526 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -126.85 13.65 7.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.926 0.393 . . . . 73.54 110.917 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -147.17 -179.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.067 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -77.16 175.71 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.869 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 21.7 m -157.97 157.98 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 65.1 110.861 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.92 44.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.063 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -26.54 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.914 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -116.25 -25.12 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.847 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.98 -25.74 45.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 65.45 110.835 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.3 -25.93 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.26 -28.2 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.822 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 ttt -80.98 -32.44 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.816 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -57.87 -23.57 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.937 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -53.99 -36.8 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.79 68.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 60.45 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.7 mmt -79.33 -44.86 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.07 -29.02 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -96.17 25.54 4.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.103 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -87.22 96.78 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.859 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -99.95 140.65 33.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 65.33 110.925 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.94 158.27 44.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.33 110.842 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.73 -45.39 94.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -30.72 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.93 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 t -68.28 -40.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.24 111.093 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.3 mt -52.71 -33.63 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -51.16 -32.95 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.15 110.924 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.42 66.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.052 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.63 -20.28 54.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.69 -42.44 91.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.944 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -77.13 -33.02 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 71.52 110.886 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -73.48 -46.92 45.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 61.23 111.113 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -55.89 -27.36 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 71.21 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.58 -40.15 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.53 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 64.18 73.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.886 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -129.65 131.3 23.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 65.51 111.218 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 138.84 38.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 74.11 112.346 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.62 -10.31 50.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.819 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.65 -32.52 60.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.877 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -30.77 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.0 m -73.47 -30.79 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.14 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -51.62 -59.6 7.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 73.43 110.913 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.73 -15.21 37.08 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 73.44 112.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.7 t -81.5 -49.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.41 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.94 -40.05 94.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.909 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -61.44 -25.04 66.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 64.51 110.871 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -30.88 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 74.1 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.38 -46.15 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD13 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -72.02 -22.47 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 70.42 110.924 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.4 -54.02 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.867 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.39 -36.4 45.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.48 -17.95 60.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 74.22 111.157 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.75 11.0 82.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 54.22 112.48 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 74' ' ' LEU . . . 97.27 39.34 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 73.34 112.536 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.32 108.43 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 74.32 110.904 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -85.18 -20.49 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.929 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.0 t -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -86.64 -45.73 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 72.4 110.944 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.0 -25.21 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 75.31 111.094 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.39 1.55 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.93 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.47 -16.95 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -130.94 26.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.819 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.89 42.45 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 60.18 41.3 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.939 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -52.78 -30.97 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 55.3 111.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.44 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.07 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.69 -33.59 75.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.52 111.0 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.85 -49.43 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.24 111.134 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -74.65 -29.99 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.35 110.888 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.35 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 61.54 111.067 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.48 -37.74 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.152 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.916 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -77.17 -55.03 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.59 -47.01 89.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -60.38 -18.89 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -89.63 -13.82 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.01 88.83 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.941 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -122.76 -16.4 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -55.15 -22.35 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 74.22 110.925 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -66.01 -13.74 60.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.89 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.9 t -142.19 162.98 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.887 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.27 -42.46 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 75.13 110.856 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -166.98 -143.63 3.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 70.21 112.502 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 72.44 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.89 0.376 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 71.43 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -114.14 142.29 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 75.01 110.83 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -144.32 122.77 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.811 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -71.23 175.67 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 72.31 110.828 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -77.69 119.15 20.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.86 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -99.77 118.99 37.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.931 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -103.79 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -153.45 143.48 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.882 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -106.04 160.62 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.867 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 p -122.43 -53.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.842 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.3 p -74.38 147.74 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 63.14 110.809 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.86 152.37 20.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 53.03 112.528 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -142.05 164.08 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 74.11 110.917 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.86 156.22 79.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 72.01 111.157 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 174.13 10.01 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 74.4 112.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -105.24 155.39 19.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 73.5 110.932 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.29 109.57 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.723 . . . . 73.1 112.471 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -142.64 123.48 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 73.31 110.836 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -90.6 78.13 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.44 110.786 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mmm -115.19 -56.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.86 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.0 tp -109.55 16.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.13 111.213 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t 56.18 34.12 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.79 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -123.41 174.76 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.817 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.36 -68.47 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 74.54 112.503 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.8 -9.65 58.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 75.21 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.9 p -62.19 138.11 58.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.107 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -178.97 140.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.897 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 m -160.45 179.18 8.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 71.4 110.772 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 36.97 44.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 74.24 111.096 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.44 -23.82 53.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -116.0 -23.74 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.905 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -57.89 -27.2 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 64.11 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.9 15.48 14.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.74 -26.0 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.8 ttp -61.04 -27.25 68.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.0 -26.25 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 70.31 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.35 -24.09 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.38 67.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 70.45 111.067 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.49 -45.4 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.885 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.16 -21.0 64.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 70.13 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -114.72 44.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.31 111.136 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -51.94 114.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.5 110.844 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 141.24 50.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.88 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.99 172.1 15.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.2 110.9 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.78 -41.98 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 55.51 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -30.81 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.869 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.11 -38.65 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 73.04 111.157 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.04 -32.38 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -50.88 -32.77 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.862 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.35 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 64.34 111.18 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.84 -23.36 43.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.916 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -59.45 -48.17 82.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 61.24 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -32.96 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.948 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 p -71.13 -38.69 72.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.2 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -54.45 -36.92 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -64.81 -33.19 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 4.06 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.921 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.91 73.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.05 110.905 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -132.39 129.83 21.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 73.4 111.121 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 136.05 32.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 74.04 112.323 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -17.75 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.905 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.12 -44.33 84.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -88.88 -28.34 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.934 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.7 m -74.54 -30.32 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.108 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -49.89 -59.31 7.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 74.24 110.814 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.74 -13.65 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 74.33 112.337 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.99 -56.28 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.3 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -23.48 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.914 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -30.3 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.51 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.8 -46.71 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.926 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.89 -23.91 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 64.21 110.956 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -54.03 51.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.52 -30.83 53.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.98 4.38 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 74.15 111.105 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.54 28.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 72.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.53 39.39 6.31 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.733 -0.746 . . . . 73.54 112.561 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.82 106.42 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 74.22 110.884 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -82.37 -20.3 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -52.8 -52.14 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -77.55 -42.43 35.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.914 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.41 -26.85 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.164 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.43 6.37 48.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 72.51 110.916 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.19 -16.13 59.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.972 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.07 27.36 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.6 41.64 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.907 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 60.12 40.99 17.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 75.3 110.965 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.4 m -51.33 -33.52 29.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 74.24 111.203 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.47 -36.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.32 111.068 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.61 -34.05 77.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.927 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.72 -48.99 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.085 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -74.38 -30.14 61.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.67 -56.82 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.139 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.72 -35.75 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.14 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.7 -33.73 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -76.07 -54.74 6.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 42.25 110.826 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.03 -56.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -51.11 -31.04 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 65.2 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -91.91 162.87 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.863 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 51.61 78.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.57 -22.88 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.896 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -18.01 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.2 60.33 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.917 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 t -93.28 75.93 4.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.876 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -110.39 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.42 110.856 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.59 65.64 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 64.04 112.52 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 62.0 110.843 -179.687 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.36 . . . . 71.43 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.97 33.44 4.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 44.22 112.464 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -62.69 133.72 55.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.915 0.388 . . . . 71.05 110.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -153.12 171.76 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 74.43 110.839 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -136.51 112.54 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.907 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -84.14 152.47 24.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -147.21 143.28 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -152.56 163.63 39.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 73.2 110.897 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -74.15 159.29 32.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -122.73 102.75 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 p -99.47 81.86 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 64.11 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -138.59 122.9 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 64.21 110.835 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.46 6.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.835 -0.698 . . . . 73.24 112.493 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -131.17 27.09 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 73.22 110.925 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER 57.2 160.56 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 75.24 111.116 179.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.619 2.212 . . . . 71.04 112.392 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.02 168.26 20.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.882 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.05 54.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 63.13 112.541 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -152.86 158.4 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 74.01 110.867 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -147.2 150.15 34.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.9 mtt -108.36 42.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.18 140.24 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 73.42 111.081 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -52.07 -48.57 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 tp 57.65 48.39 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.42 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 t -52.13 115.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.16 158.69 25.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 62.43 112.499 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -78.96 -16.74 56.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 73.24 110.921 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.93 157.11 45.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.12 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -50.77 155.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.895 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 t -138.98 94.87 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.901 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.55 33.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.53 111.114 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -75.08 -24.99 58.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -116.02 -24.59 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.512 . . . . 75.3 110.864 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.98 -26.16 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 74.32 110.825 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -25.19 35.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.436 . . . . 74.2 110.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.92 -40.5 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.875 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.41 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -74.78 -45.43 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -66.69 -31.65 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.81 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.066 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 mmm -81.91 -41.22 21.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.42 110.843 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.67 -25.08 61.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 75.23 110.945 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.2 t -100.64 36.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.155 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.81 116.87 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -76.65 141.69 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.951 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -141.32 168.83 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.83 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -64.32 -53.45 48.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.923 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -32.7 58.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.886 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.85 -30.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 62.12 111.127 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.03 -22.34 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.91 -38.7 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.915 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.9 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 62.4 111.073 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.09 -22.86 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.956 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.69 -42.26 91.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.11 110.848 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.21 -32.65 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.905 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -73.77 -46.67 44.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.45 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -54.82 -26.82 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -63.57 -40.58 97.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 72.42 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.55 16.4 12.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.73 74.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.903 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mt -135.12 118.45 13.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 52.22 111.108 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.41 32.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 63.41 112.388 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -20.0 28.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.838 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.52 -31.6 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -104.26 -28.49 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 75.41 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 m -73.74 -30.49 62.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 64.1 111.186 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.498 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -50.03 -59.59 6.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 74.33 110.884 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.5 Cg_endo -69.7 -14.43 36.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 74.21 112.408 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -81.14 -57.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 65.14 111.117 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.21 -43.19 87.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.034 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -60.08 -23.34 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.913 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.77 -30.54 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 75.33 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.13 -50.35 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 63.34 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.47 -24.05 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -53.91 52.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.859 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -77.27 -30.38 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.3 4.3 31.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 65.34 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.73 31.04 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.71 39.13 6.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 54.15 112.494 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.66 105.04 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.335 . . . . 75.44 110.907 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -81.06 -21.75 39.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.942 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 t -51.79 -51.95 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.867 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.25 -42.57 36.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 75.54 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.0 mt -58.6 -25.16 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.33 111.173 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 6.72 47.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.887 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.27 -17.28 58.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -133.93 27.42 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.833 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 40.97 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 61.1 40.36 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.935 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -51.67 -33.39 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.68 44.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.088 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.02 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.17 -49.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.152 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.44 -29.94 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.853 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.89 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.83 -35.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.136 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.21 -34.75 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -76.26 -54.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.865 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.36 -54.29 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.4 111.048 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.22 -31.39 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.903 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.84 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 51.62 80.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.46 -26.17 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.42 110.84 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -26.29 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -85.94 54.49 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -179.02 160.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.04 110.823 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -122.48 139.99 53.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.14 160.09 22.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.649 -0.786 . . . . 73.14 112.445 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 74.25 110.859 -179.719 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.849 0.356 . . . . 74.31 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.1 143.99 9.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.506 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -129.26 116.91 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 74.52 110.894 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.1 t -58.98 131.66 51.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.867 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -95.07 88.21 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 75.51 110.879 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -164.29 145.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.84 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -161.31 144.88 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.808 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -61.75 142.09 57.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -132.77 143.7 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 65.41 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -148.07 144.72 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.936 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.2 p -84.5 157.76 21.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 63.34 110.845 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -108.63 72.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.086 -0.506 . . . . 41.32 110.83 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.43 62.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.668 -0.777 . . . . 73.24 112.463 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mp -129.53 55.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 72.2 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.85 156.27 45.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 73.11 111.076 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 111.34 2.8 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.662 2.241 . . . . 63.14 112.387 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.8 146.37 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.45 110.845 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.28 98.31 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 72.42 112.451 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 161.91 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 74.12 110.851 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.94 172.18 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.852 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.2 ptp -173.6 146.61 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.815 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.24 139.53 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 62.3 111.124 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -51.23 -48.53 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.03 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -87.52 45.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.911 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.8 82.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.874 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.61 154.04 0.19 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.521 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -128.23 132.69 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 73.41 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.74 160.82 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 61.41 111.192 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -65.07 179.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.867 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.7 t -127.52 174.31 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.4 110.875 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.12 43.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.098 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -77.57 -22.97 50.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -115.9 -24.22 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.845 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.49 -26.18 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.34 110.94 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -90.0 -25.81 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.67 -34.43 73.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.864 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -26.76 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.849 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.82 -28.05 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.02 -32.75 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.5 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.05 111.094 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.8 mtp -81.19 -28.97 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.6 6.49 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -139.59 48.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.15 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -51.75 112.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.2 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 174.66 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.19 -178.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 63.41 110.881 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.3 -42.03 72.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.806 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.904 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.25 -27.84 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.089 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.33 -25.98 65.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.15 -40.3 90.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.896 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.8 99.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 53.42 111.107 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.89 -21.41 57.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.895 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.82 -38.82 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.35 110.853 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -77.56 -34.43 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -74.89 -44.69 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.24 111.172 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.29 -26.77 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -65.14 -39.68 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 12.5 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.08 75.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.867 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 mt -130.42 131.28 23.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 75.31 111.163 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.25 32.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.744 2.296 . . . . 72.41 112.316 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -67.82 -9.9 48.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 65.13 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.81 -23.96 55.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -25.24 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.904 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -75.98 -37.19 58.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.158 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.552 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.9 mmm -49.08 -56.74 14.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 64.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.81 -15.48 36.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 74.11 112.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -81.52 -56.01 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.06 -44.44 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 64.55 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -60.39 -23.39 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.822 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -30.17 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.28 -51.28 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.9 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.84 -24.07 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.887 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -53.8 53.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.826 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -77.47 -29.58 52.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.53 3.88 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 65.3 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.76 19.93 37.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.51 5.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 73.13 112.485 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 103.57 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 73.33 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -81.54 -21.78 38.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.9 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -51.24 -50.64 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.14 110.875 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.03 -43.21 24.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.9 mt -58.25 -24.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.197 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.3 -2.41 39.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.925 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.01 -27.54 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.943 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.73 24.33 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.813 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.7 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 61.43 40.33 14.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.933 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -51.76 -30.5 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.45 111.132 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.77 -36.82 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.53 111.098 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -33.77 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.884 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.64 -49.65 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 73.43 111.089 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.02 -29.74 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.47 -57.19 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.15 111.073 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.86 -38.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.172 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.42 -33.45 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.966 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 t -76.52 -55.09 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 70.11 110.799 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.02 -53.58 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.081 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -51.11 -31.14 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.862 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.32 -58.54 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.9 118.53 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.954 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -113.0 -25.11 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -19.9 63.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.879 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -51.66 164.53 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 p -85.39 115.96 23.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.838 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.29 -174.24 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.23 -89.77 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.31 112.485 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 74.45 110.934 -179.763 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 71.42 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.47 153.21 17.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 73.14 112.452 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 p -93.62 73.69 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 74.31 110.877 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -166.49 158.35 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.855 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -93.97 110.36 22.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.891 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -88.75 -26.26 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.829 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -52.81 -43.82 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 74.04 110.819 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.29 144.32 56.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.861 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -142.44 -176.23 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.906 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -88.81 141.52 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.908 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -117.46 99.68 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.86 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -76.34 155.51 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.849 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.82 148.46 51.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.725 . . . . 60.2 112.489 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.14 176.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 72.45 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.8 156.22 62.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.711 . . . . 74.44 111.091 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.88 26.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 73.15 112.332 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -26.76 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.862 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.83 -150.27 35.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 73.3 112.489 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -131.9 131.74 42.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 74.51 110.841 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -91.63 141.65 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.14 110.871 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mtp -104.1 122.09 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.907 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 tt -150.46 142.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.143 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -77.8 61.69 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.881 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.72 -43.76 69.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.958 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.8 m -56.3 151.02 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 64.03 110.814 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.19 153.93 22.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 54.12 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.74 -16.83 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 75.43 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 p -101.44 -175.94 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -76.88 142.28 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' VAL . 58.0 m -155.23 174.18 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.824 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.89 44.22 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 65.13 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -67.5 -29.84 69.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 74.5 110.973 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -137.54 18.46 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.87 -30.87 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.3 110.881 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -24.81 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.9 -30.18 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -35.0 33.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.92 -26.02 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 65.04 110.95 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -54.65 -34.07 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.909 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -25.14 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.135 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.3 mtp -81.51 -43.92 18.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.72 -26.46 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -96.41 24.19 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.19 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.87 101.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 61.33 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.907 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -140.87 167.74 21.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -65.71 -53.79 36.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.849 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -30.41 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.914 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.0 t -68.31 -37.27 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 75.21 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.61 -34.06 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -50.76 -34.78 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.911 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.12 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.41 -21.37 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.934 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -78.05 -32.97 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.831 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -74.73 -43.72 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.149 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -54.24 -26.02 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -64.28 -37.63 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.879 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.56 15.06 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 65.41 75.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 74.4 110.9 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.02 118.47 13.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 72.24 111.182 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 135.05 29.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 73.04 112.367 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.44 -20.06 27.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.87 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.08 -28.27 68.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.808 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -109.49 -26.07 10.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 m -76.41 -34.36 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.3 111.18 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.547 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 10.8 mmm -49.29 -57.15 12.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.499 0.666 . . . . 74.52 110.848 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.1 Cg_endo -69.72 -15.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 73.4 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 t -81.53 -56.0 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 65.33 111.087 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.21 -44.61 97.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.937 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.25 -23.48 64.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -71.87 -30.28 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.09 -51.43 12.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.81 -24.2 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.11 -53.77 54.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.898 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.28 -29.53 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 3.84 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.2 111.063 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.49 20.74 39.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 71.43 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.69 40.63 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 71.24 112.439 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.6 103.59 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 73.41 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -81.68 -20.79 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -51.52 -50.7 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.35 110.905 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.56 -43.02 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 64.43 110.912 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.6 mt -58.19 -24.5 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 62.03 111.18 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -0.4 42.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 73.11 110.894 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.61 -25.79 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.938 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.92 24.59 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.44 40.58 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.875 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 61.38 40.27 14.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.897 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -51.54 -30.4 20.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 73.35 111.194 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.57 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.78 -34.06 77.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.917 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 t -64.13 -50.0 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.179 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.97 -29.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 64.22 110.888 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.19 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 62.21 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 mm -60.98 -34.87 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.01 111.115 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.3 -34.65 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.963 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -76.25 -54.7 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.69 -55.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.088 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -50.91 -31.19 16.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.45 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.74 157.1 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 63.14 110.946 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 51.68 83.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 70.23 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.44 -25.25 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.33 110.905 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -35.34 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 26.35 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.934 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -83.33 -50.41 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.01 110.84 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -117.93 60.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 72.01 110.851 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.68 126.37 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 70.35 112.435 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 64.01 110.897 -179.793 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.838 0.351 . . . . 63.3 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.01 45.03 53.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.638 -0.792 . . . . 73.12 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -128.9 109.12 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 74.42 110.894 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -166.42 154.63 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.822 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -65.23 114.06 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 70.01 110.881 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -127.93 67.88 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.872 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -119.85 106.69 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.44 -65.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.83 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.46 155.57 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -71.0 154.74 41.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.812 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -124.82 148.9 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -105.02 -40.35 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.844 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.42 154.53 28.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 72.51 112.447 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 122.2 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 70.22 110.972 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -119.76 156.15 54.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 75.0 111.179 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 107.88 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 73.24 112.306 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -63.63 104.87 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.929 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.08 -172.36 18.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 51.25 112.472 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -170.1 127.38 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 72.1 110.851 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -101.61 151.13 22.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 61.12 110.874 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.9 tpt -159.65 144.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.871 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.88 137.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.182 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -80.92 58.41 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.23 110.879 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.28 -34.85 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.45 110.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -135.01 146.57 49.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.02 -115.48 0.88 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.737 -0.744 . . . . 73.2 112.439 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 41.87 36.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 75.42 110.909 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.3 p -125.49 -36.02 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.113 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -173.59 174.66 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.823 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.77 -179.66 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.826 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 36.98 43.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 72.12 111.16 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -35.26 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -118.09 -28.09 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.55 110.882 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.18 -26.1 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 74.52 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.01 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.891 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.66 -26.03 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.81 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.84 -31.76 66.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.952 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -63.39 -61.52 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.54 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.87 -25.62 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.845 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -33.46 65.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.151 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.0 mmm -55.01 -52.37 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.39 -26.37 65.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -123.6 66.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 73.24 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.45 5.33 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.93 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 -177.48 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 65.53 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -150.24 -179.18 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.855 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.31 -43.35 81.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.905 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -32.8 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.3 110.862 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.14 -33.19 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 74.31 111.148 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.21 -23.06 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.44 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -76.69 -34.24 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.937 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.72 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.122 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.4 mt -71.07 -19.1 62.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.75 -42.19 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -77.68 -33.15 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.89 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.4 p -72.6 -46.9 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.05 111.13 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -55.37 -27.33 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.835 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -63.43 -40.61 97.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 75.41 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.78 14.59 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.35 74.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 64.42 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -132.75 130.85 21.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 75.33 111.139 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.02 41.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.666 2.244 . . . . 75.14 112.371 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -67.42 -10.96 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.05 -37.61 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.918 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -91.4 -29.09 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.896 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.7 m -72.65 -30.5 64.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.173 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.491 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.96 -59.98 5.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 74.54 110.851 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.4 Cg_endo -69.76 -14.47 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 71.11 112.374 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.76 -56.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.138 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.96 -41.2 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -60.5 -25.22 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.01 110.837 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.07 -42.58 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.866 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.416 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -74.61 -23.04 58.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 73.31 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -42.26 75.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.852 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.25 -46.01 18.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -18.47 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.52 111.059 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.86 12.21 72.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 64.22 112.449 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.416 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 102.9 40.59 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 64.2 112.43 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.57 103.9 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.4 110.848 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -81.39 -21.27 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.995 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -52.67 -54.58 31.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.847 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.69 -43.69 45.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.871 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.12 -30.55 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 71.25 111.159 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.39 1.58 54.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.902 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 tp -62.86 -16.4 58.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 65.31 110.983 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.87 26.98 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.883 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.3 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.906 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 60.57 40.8 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -51.58 -29.93 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.141 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.8 -34.47 62.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.35 111.116 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.59 -35.36 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.874 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.02 -51.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.42 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -74.83 -29.83 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.831 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.48 -57.32 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.121 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.2 mm -57.86 -46.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 75.52 111.138 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.44 -30.64 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 71.34 110.956 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 -54.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.52 110.932 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.26 -53.25 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 75.34 111.105 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.76 -31.05 15.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.2 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.92 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 72.04 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.57 121.38 15.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 60.45 110.872 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -118.26 -29.63 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.45 110.827 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -55.39 -26.0 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.96 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -113.06 49.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 72.54 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -179.43 151.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -88.21 -177.58 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.26 159.02 31.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 61.14 112.459 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 74.32 110.869 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.825 0.345 . . . . 74.23 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.63 135.88 2.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.767 -0.73 . . . . 64.34 112.539 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 150.45 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 65.01 110.842 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -96.67 45.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.893 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -117.03 40.08 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -121.28 -43.07 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.2 110.865 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 54.16 33.38 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -152.09 115.87 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.01 110.849 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -97.74 174.08 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -61.75 -37.53 84.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.825 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -65.23 101.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.862 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.2 t -139.23 119.18 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.859 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.52 -157.8 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 72.51 112.452 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tt -107.6 128.52 54.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 75.42 110.923 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.67 156.0 2.54 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 72.33 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 168.7 20.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 73.31 112.331 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -132.58 -176.62 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.05 -131.26 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.533 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -112.66 152.74 28.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 74.41 110.793 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -99.96 114.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.839 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 ptm -125.27 42.93 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.891 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tt -71.6 151.67 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.23 111.213 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' LEU . 7.7 t -86.05 5.66 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.901 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER 33.1 54.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.875 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -118.2 160.7 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.812 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.76 -170.89 18.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 73.23 112.471 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -113.96 11.67 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.31 110.912 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 p -72.92 174.87 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.204 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -108.44 -170.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.35 110.863 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' VAL . 79.1 p -96.35 -173.68 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.88 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.07 43.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 75.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.13 -21.92 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -114.55 -22.59 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.937 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -55.61 -25.97 41.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 61.25 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -33.17 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.902 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.82 -24.0 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.863 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm -70.72 -41.05 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.872 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.09 -25.07 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -80.94 -23.77 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 61.3 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -23.58 66.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.053 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtp -75.56 -41.72 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.92 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.26 -13.54 61.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.949 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 t -124.01 50.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 64.01 111.165 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.92 116.62 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 165.83 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 65.45 110.864 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.16 164.94 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 75.01 110.907 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -67.13 -45.33 77.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 60.12 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -30.92 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -65.26 -34.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 71.1 111.174 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.85 -34.19 58.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.945 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -50.94 -35.15 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.856 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.92 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.144 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.43 -20.42 59.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.897 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -65.64 -42.26 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -77.15 -32.54 56.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.892 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -73.95 -45.14 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 72.2 111.156 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -53.97 -25.9 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 75.52 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.08 -37.78 86.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 12.67 26.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 73.51 110.942 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.0 75.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.3 110.85 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.8 mt -130.32 131.47 23.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 72.31 111.172 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 136.39 33.02 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 72.31 112.353 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.81 -9.82 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.89 -23.24 58.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.17 -25.41 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.8 m -76.3 -36.95 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.31 111.205 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.555 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.8 mmm -49.07 -56.78 13.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.542 0.687 . . . . 74.35 110.876 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.88 -16.02 36.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 74.44 112.248 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.8 t -81.64 -56.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 73.41 111.094 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -59.29 -44.55 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.931 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -23.48 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.866 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -29.88 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.74 -48.11 27.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.56 -24.37 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.929 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.19 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.908 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.46 -29.44 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.926 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.5 5.1 28.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.147 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.14 23.62 33.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.06 40.6 6.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.42 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.66 103.7 10.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 71.52 110.926 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -81.22 -20.96 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 75.13 110.888 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -52.24 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.828 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.67 -42.57 34.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.907 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.44 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 74.52 111.138 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.6 2.57 47.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.935 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.2 25.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.881 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 40.91 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.883 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 61.13 40.28 15.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.902 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -51.39 -31.33 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.42 -36.54 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.137 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.74 -34.07 77.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 70.15 110.974 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.6 -49.6 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.147 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.88 -29.79 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 -57.0 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 70.32 111.065 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -59.43 -37.92 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 64.3 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.5 -33.61 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.893 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -76.57 -55.0 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.85 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -53.6 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.01 111.169 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -51.06 -31.21 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.55 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.61 -57.04 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -115.43 111.39 20.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -99.51 -42.8 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 62.35 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 -34.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.881 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.76 119.18 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.012 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -157.48 163.13 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.841 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -131.1 105.43 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 60.34 110.89 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 111.71 67.49 0.53 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 73.52 112.474 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 63.33 110.846 -179.722 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.811 0.339 . . . . 73.24 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.69 128.91 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 72.41 112.454 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -117.65 -177.49 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 70.41 110.833 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -148.09 171.42 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 70.55 110.909 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -149.55 149.98 31.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -130.03 155.14 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.818 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -128.23 169.41 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.816 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -151.52 173.93 14.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.851 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -148.71 132.9 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.861 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -152.31 161.84 42.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.12 110.79 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.1 t -145.0 166.89 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.811 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -132.1 -73.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.859 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.8 -178.58 53.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 65.42 112.527 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -80.58 179.18 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 74.51 110.882 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.36 156.2 77.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 73.13 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.05 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.68 2.253 . . . . 72.2 112.326 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.16 175.16 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.907 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.34 -161.49 24.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.68 -0.771 . . . . 72.23 112.449 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -69.9 -175.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 64.13 110.855 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -111.98 38.76 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.893 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.0 mtt -92.45 88.57 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -167.32 147.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 75.12 111.154 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -74.99 67.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.81 45.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.45 110.891 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 p -53.18 118.24 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.832 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.44 62.06 0.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 72.44 112.484 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -143.79 157.06 44.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 62.01 110.894 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.4 p -54.54 170.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 75.14 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -63.68 -177.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 73.33 110.771 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.1 t -132.17 -172.26 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 72.5 110.876 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.03 44.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -30.69 71.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.833 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -141.3 20.01 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.882 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -88.81 -32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.882 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.29 -26.19 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.52 -33.69 46.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.891 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -54.91 -30.04 57.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.857 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -61.25 -26.93 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -60.69 -24.54 65.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.3 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.05 111.171 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mmm -73.65 -50.0 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -22.91 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.25 110.989 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -111.62 42.45 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 74.05 111.165 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -52.06 110.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 74.14 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 176.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.22 110.92 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -141.97 -177.89 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.887 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -70.86 -41.88 70.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -32.81 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.891 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.02 -28.33 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 72.24 111.154 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.74 -21.34 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 72.55 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -74.52 -31.94 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 64.43 110.925 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.42 61.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 70.33 111.078 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.29 -23.58 54.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -66.59 -35.84 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.845 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -78.65 -36.27 44.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.849 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -74.56 -45.16 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.35 111.172 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -53.81 -27.84 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.54 -40.68 97.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.59 14.27 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.895 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 63.96 73.09 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.84 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.7 mt -127.21 131.3 23.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 73.31 111.105 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.3 39.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 73.1 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.75 -10.31 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.895 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.55 -35.12 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.901 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -95.29 -30.38 13.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -73.56 -30.58 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.497 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.9 OUTLIER -51.12 -59.74 7.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 72.03 110.885 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.84 -14.53 35.96 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.6 2.2 . . . . 53.22 112.348 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.9 t -81.18 -57.13 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.101 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.19 -42.98 87.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.8 ptp -60.13 -23.56 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.892 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -30.14 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.834 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.71 -41.17 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.919 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.99 -23.75 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 70.52 110.924 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.5 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 72.42 110.944 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.82 -31.35 51.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.24 4.79 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.149 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.59 24.59 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 75.41 112.514 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.91 38.58 6.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 71.25 112.506 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.76 103.97 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 72.21 110.905 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -51.96 -52.22 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -76.71 -42.66 40.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.77 -26.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.55 111.174 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.01 7.29 46.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 75.54 110.877 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.36 -17.22 58.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.959 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.95 27.34 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 60.23 110.85 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.29 40.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.928 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 61.38 40.12 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.0 m -51.6 -31.83 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 65.21 111.128 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.89 -35.23 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.54 111.084 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.24 -35.28 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.989 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.3 t -61.28 -50.64 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 60.4 111.111 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.864 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.55 -57.36 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 111.083 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mm -58.55 -45.88 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.14 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.72 -31.17 70.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -76.73 -55.01 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 74.45 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -62.32 -54.11 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.93 -31.45 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.91 155.68 18.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 71.31 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 51.86 80.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.916 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -98.71 -26.43 14.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.889 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.598 ' HZ2' ' NE2' ' A' ' 105' ' ' GLN . 7.7 pttp -67.72 -27.32 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.598 ' NE2' ' HZ2' ' A' ' 104' ' ' LYS . 6.5 mt-30 -95.68 38.93 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.906 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.2 t -178.05 159.6 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 62.12 110.849 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -72.49 -64.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 73.33 110.848 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 166.46 -153.94 24.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.496 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 74.21 110.916 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 75.2 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.8 123.97 0.68 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.441 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -64.58 110.6 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 62.41 110.868 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.5 m -128.07 74.72 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 73.34 110.821 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -80.47 -70.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t60 61.19 50.12 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -72.38 163.2 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.14 110.829 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -92.26 160.72 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 64.14 110.845 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -131.63 38.66 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -114.99 137.67 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 74.44 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -138.84 -176.09 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.919 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -150.58 134.64 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.52 67.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 61.14 112.514 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -141.3 129.23 21.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 75.11 110.887 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.94 156.17 72.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 75.1 111.142 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.27 0.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.68 2.254 . . . . 55.12 112.404 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.77 154.31 22.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.875 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 -168.8 11.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 61.34 112.436 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -76.62 172.3 13.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 61.21 110.889 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -122.05 124.5 44.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.884 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.9 ttp 52.39 52.38 14.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.15 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tt -64.09 154.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.55 111.114 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -55.23 -26.19 38.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 73.53 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.33 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.44 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -57.2 114.33 2.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.925 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.34 177.76 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 72.22 112.506 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -106.5 12.08 29.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 74.45 110.958 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -176.14 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 74.02 111.134 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -98.57 66.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.889 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.1 t -165.25 156.3 14.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 75.41 110.926 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 36.93 44.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 61.5 111.125 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.39 -24.98 59.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.871 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 t -116.12 -23.67 8.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -58.27 -22.94 54.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mp -92.77 15.48 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.88 -26.87 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.865 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.7 mmm -68.42 -25.34 64.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 63.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -54.41 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -61.32 -30.23 70.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.5 -25.21 65.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.125 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.1 mmt -71.01 -39.62 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 70.25 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.77 -8.41 55.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 t -131.49 66.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.154 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.77 -170.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.826 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 173.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.897 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -144.36 176.01 9.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.887 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -66.93 -42.23 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 74.42 110.892 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.56 70.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.887 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.12 -27.57 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 65.32 111.15 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.5 mt -67.5 -29.64 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -62.25 -41.21 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.965 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.59 80.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.4 111.079 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.56 -19.93 65.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -67.05 -40.17 87.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.826 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -34.11 57.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.92 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -74.76 -46.78 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.17 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -53.63 -27.37 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.877 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.57 -40.24 96.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.934 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 12.28 21.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.69 74.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.845 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.15 131.4 23.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.678 0.751 . . . . 73.53 111.127 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.57 35.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 75.02 112.321 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -67.62 -10.16 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.72 -24.25 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.02 -23.05 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.2 110.936 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.4 m -76.43 -37.64 56.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 71.12 111.203 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.569 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 13.3 mmm -50.9 -55.87 24.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 53.04 110.896 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.74 -17.22 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.27 . . . . 71.33 112.359 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -81.64 -47.79 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.097 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.86 -38.78 73.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 53.34 110.826 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.04 -24.79 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 73.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.12 -35.69 81.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.36 -41.88 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB3' ' HA2' ' A' ' 79' ' ' GLY . 2.3 mt -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.928 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.36 -50.47 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.855 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.5 -38.52 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.52 110.835 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.9 -16.09 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 64.42 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.58 -11.23 72.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.756 . . . . 65.51 112.469 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 74' ' ' LEU . . . 114.29 46.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 70.01 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.79 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 74.21 110.826 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -72.39 -26.69 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 63.52 110.924 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.3 t -53.56 -54.66 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.53 110.817 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -76.42 -39.31 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.63 -25.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 74.03 111.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 1.95 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 65.32 110.974 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tp -50.78 -30.05 13.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.947 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -121.01 27.13 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.886 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.93 3.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 71.33 110.895 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 62.35 38.0 13.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 m -51.83 -33.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 73.32 111.167 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.79 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.079 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.89 -34.17 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.898 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.0 t -65.3 -49.19 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -74.82 -29.82 61.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.844 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -57.38 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.137 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.02 -35.46 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.54 111.166 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.22 -34.72 74.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -76.33 -54.95 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.0 -53.58 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 74.24 111.163 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -50.93 -31.23 17.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -58.25 -50.31 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.849 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -130.5 125.36 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.881 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.95 -40.01 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 71.03 110.948 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -21.19 10.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 63.01 110.871 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -51.84 105.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.87 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.9 p -174.45 -175.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.848 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -112.49 -31.55 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 60.03 110.897 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.36 -157.99 14.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 71.23 112.465 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 74.53 110.848 -179.722 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.79 0.329 . . . . 72.12 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -87.6 -12.12 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.21 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -113.22 -22.21 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 33.45 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.9 -26.27 46.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 62.23 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -85.46 -34.41 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -55.26 -26.39 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.843 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 ttt -55.42 -26.12 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.45 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 43' ' ' THR . 33.6 mm-40 -64.6 -41.07 96.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.3 -23.71 64.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 45.22 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.3 mtt -70.9 -34.12 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.47 -0.56 42.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.933 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -140.32 66.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.173 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.866 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 70' ' ' LEU . 91.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 71.0 111.12 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.27 -21.42 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.01 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.27 -44.15 97.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 64.44 111.128 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.2 -22.0 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.903 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.2 -46.11 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 65.51 110.925 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -76.51 -32.66 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.869 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 66' ' ' THR . 10.5 p -69.4 -43.98 72.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.102 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -30.49 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.875 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.03 -42.27 84.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.35 11.67 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.15 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 t0 63.73 63.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.754 HD13 HG13 ' A' ' 96' ' ' ILE . 32.8 mt -117.33 131.39 24.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 70.11 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.76 41.09 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 71.13 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.8 -10.54 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.854 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.44 -38.21 63.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -91.78 -28.66 17.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.909 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 56' ' ' THR . 97.4 m -74.09 -30.12 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.72 -59.45 6.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 64.41 110.877 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.71 -13.22 34.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 63.53 112.385 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.8 t -81.4 -57.31 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.6 pp -57.77 -43.78 85.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.967 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.436 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.9 ptt? -60.05 -23.29 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.886 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -73.49 -30.33 63.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.1 mt -75.74 -51.53 12.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.959 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.94 -24.14 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.9 -53.72 55.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.852 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -77.33 -29.76 53.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.63 30.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.056 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.92 23.66 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 64.12 112.477 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.8 39.47 6.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 52.11 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.63 103.99 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 64.14 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 67.6 m95 -80.85 -21.0 41.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.13 -52.47 51.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.891 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.28 -42.34 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.891 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 74' ' ' LEU . 91.5 mt -58.55 -25.16 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.63 8.25 45.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.907 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.912 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.54 27.0 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.865 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.06 40.8 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.714 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.91 40.7 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 51.22 110.912 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -51.6 -30.42 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.32 111.142 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.52 -36.43 64.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.108 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.04 -34.45 77.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.942 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.27 -50.05 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.167 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.64 -29.85 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.852 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -56.99 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.129 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 61' ' ' ILE . 40.2 mm -60.0 -37.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.42 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.1 -33.79 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -76.48 -55.06 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 54.12 110.82 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.87 -54.3 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 54.41 110.896 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.677 0.275 . . . . 62.34 111.133 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.19 -25.89 63.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 63.15 110.878 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 m -116.56 -23.07 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.845 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.28 -45.88 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.77 15.41 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.982 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.94 -27.81 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.3 mtm -53.09 -41.68 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.8 -38.62 58.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.85 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 43' ' ' THR . 12.0 mm100 -63.17 -22.47 66.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -22.58 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 53.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.6 mtt -76.0 -38.72 57.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.17 -18.15 60.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 52.11 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 39' ' ' GLN . 2.9 t -118.13 66.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 65.21 111.118 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.835 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.936 0.398 . . . . 72.24 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -68.38 -21.45 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.51 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -73.45 -38.07 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.34 111.122 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.86 -21.3 56.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.75 -41.37 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.13 -33.33 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.878 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.79 HG22 HD13 ' A' ' 92' ' ' LEU . 23.0 p -74.36 -47.2 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.27 -27.3 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -63.36 -40.45 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.81 13.64 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 52.1 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.29 74.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.876 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.649 HD13 HG13 ' A' ' 96' ' ' ILE . 26.4 mt -129.65 131.03 23.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 70.4 111.145 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.51 40.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.757 2.305 . . . . 71.21 112.335 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.68 -10.38 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.859 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -75.73 -32.76 60.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.87 -30.95 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.32 110.881 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.724 ' CG2' HG21 ' A' ' 56' ' ' THR . 55.1 m -71.15 -30.48 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.127 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.49 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -51.16 -60.53 5.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 61.11 110.895 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.69 -14.93 37.02 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.717 2.278 . . . . 62.23 112.362 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 96' ' ' ILE . 25.1 t -80.04 -57.39 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 34.31 111.133 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 71' ' ' MET . 3.9 pp -58.67 -45.04 90.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.946 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.576 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -58.37 -25.66 62.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.83 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -67.09 -30.2 70.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 70.23 110.943 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.439 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.1 mt -75.33 -42.22 54.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.749 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -67.27 -23.93 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 63.12 110.943 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.12 -54.19 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -77.62 -30.96 52.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 62.11 110.862 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.541 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.77 3.98 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 65.11 111.12 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.4 24.26 29.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 53.25 112.414 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.749 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.27 39.0 6.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.535 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.7 103.86 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 74.01 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.423 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.9 m95 -79.92 -20.99 44.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.72 -53.26 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.812 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.4 -41.94 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.878 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 77' ' ' ALA . 97.5 mt -58.49 -26.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 75.52 111.095 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.03 8.52 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.85 -16.77 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.25 26.22 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 61.22 110.851 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.22 39.8 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.711 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.7 m-85 61.21 40.59 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 63.14 110.954 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.2 m -51.54 -33.03 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 72.24 111.126 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.86 -36.08 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.35 110.989 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -67.95 -34.59 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 74.4 110.952 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.23 -49.69 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.097 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -74.45 -29.76 61.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 53.11 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.24 -56.96 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.652 HD13 HG21 ' A' ' 69' ' ' VAL . 43.1 mm -60.36 -36.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 51.22 111.084 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.19 -34.53 73.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -76.36 -54.97 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.31 110.895 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.29 -53.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 74.04 111.181 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.877 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.872 0.368 . . . . 64.2 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.84 -24.17 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 62.42 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -116.19 -22.98 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.822 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.45 -44.2 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 72.42 110.847 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.0 15.48 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.891 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.46 -23.9 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.8 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -21.34 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 62.31 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.95 -24.99 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.738 ' O ' HG22 ' A' ' 43' ' ' THR . 5.1 pp0? -54.38 -32.05 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.26 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 42.2 111.092 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.7 mtp -79.66 -33.83 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.76 -6.68 59.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 39' ' ' GLN . 6.9 t -128.18 52.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 72.22 111.21 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.888 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG13 ' CD1' ' A' ' 70' ' ' LEU . 36.8 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.799 0.333 . . . . 74.25 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.56 -32.43 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.912 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -51.07 -34.11 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.61 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.62 -42.23 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.45 111.089 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.62 -20.41 55.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.928 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.58 -40.84 93.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.22 -33.3 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.885 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 66' ' ' THR . 6.0 p -74.18 -43.75 56.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 53.44 111.13 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -56.5 -26.3 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.869 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -65.24 -39.79 93.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.916 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.97 14.01 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.854 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.23 73.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.914 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.464 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.8 mt -130.13 131.2 23.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.692 0.758 . . . . 72.45 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.78 138.8 38.61 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 61.41 112.348 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.78 -10.22 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.928 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.36 -37.72 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.949 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.7 ptmm? -91.46 -30.21 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.841 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 56' ' ' THR . 99.0 m -75.03 -30.31 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.076 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.13 -59.47 6.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 54.33 110.85 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.0 Cg_endo -69.71 -13.23 34.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 74.23 112.362 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.2 t -81.31 -57.36 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.115 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.75 -43.58 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp -60.19 -23.28 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.883 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -30.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.936 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.3 mt -75.88 -51.57 12.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.12 -24.16 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 54.15 110.922 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.36 -53.82 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.835 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.04 -30.34 55.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.96 4.05 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.12 111.089 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.27 23.36 33.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 41.33 112.518 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.783 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.85 40.49 5.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 53.31 112.495 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.79 106.26 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 72.32 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.61 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.4 m95 -83.92 -20.19 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 t -52.82 -48.01 67.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 64.03 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.21 -42.71 18.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.472 . . . . 63.55 110.964 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.561 HD12 HD13 ' A' ' 74' ' ' LEU . 93.3 mt -58.41 -26.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.097 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.02 7.41 46.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.969 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.9 tt -63.26 -16.23 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.906 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.26 27.44 3.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.843 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 66.12 41.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.723 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.74 40.56 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 70.24 110.884 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -51.73 -30.42 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 70.1 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.1 -35.37 64.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 73.54 111.07 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.22 -34.34 76.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.29 -50.59 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.108 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.77 -29.84 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 54.15 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -70.36 -57.24 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.094 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 69' ' ' VAL . 39.7 mm -58.8 -45.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.134 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.66 -31.01 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.928 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -76.61 -55.14 5.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.8 t -62.38 -53.64 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.173 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.827 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.858 0.361 . . . . 61.11 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -76.57 -23.42 53.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.815 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -115.44 -23.34 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.92 -28.39 64.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.05 15.42 18.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.837 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.1 mmm -53.7 -38.49 64.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.01 -24.93 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.936 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.743 ' O ' HG22 ' A' ' 43' ' ' THR . 21.2 mm-40 -88.17 -23.79 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.13 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.43 111.073 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtp -76.19 -40.84 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.68 -16.25 61.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.934 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.6 t -119.96 47.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 62.53 110.894 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 54.35 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.39 -25.41 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -64.08 -38.5 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.9 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 70.34 111.028 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.09 -21.22 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.29 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 54.15 110.898 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.711 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.61 -34.66 53.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.813 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.731 HG22 HD13 ' A' ' 92' ' ' LEU . 7.3 p -75.2 -44.81 44.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -54.47 -27.11 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 70.42 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.4 -39.45 93.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.856 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.57 13.23 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.12 74.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 43.34 110.872 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.0 mt -129.45 131.07 23.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 52.53 111.182 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 139.63 40.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.705 2.27 . . . . 75.4 112.349 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.54 -10.54 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 41.31 110.872 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -75.99 -32.11 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 65.43 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.99 -29.05 13.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.881 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.718 HG21 HG21 ' A' ' 56' ' ' THR . 98.0 m -74.34 -30.9 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.562 ' CE ' HD21 ' A' ' 70' ' ' LEU . 1.3 mmt -51.08 -59.03 8.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.507 0.67 . . . . 43.32 110.874 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.99 36.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 71.03 112.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 65' ' ' LYS . 25.1 t -80.79 -48.21 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 65.11 111.067 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 ' CE ' ' A' ' 67' ' ' MET . 2.6 pp -70.27 -37.76 74.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 70.45 110.914 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.16 -22.95 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.888 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.937 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 3.8 mt -83.69 -44.72 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -69.8 -23.8 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.54 110.86 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.24 -51.61 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 70.21 110.833 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.16 -39.94 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.03 110.916 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.49 -14.39 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 41.13 111.109 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.88 -9.22 77.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 70.51 112.473 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.42 49.31 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 52.33 112.554 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.26 101.89 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.774 0.321 . . . . 61.04 110.842 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -72.57 -28.57 62.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -54.32 -44.49 72.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 62.24 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.87 -41.76 13.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.549 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.4 mt -61.21 -26.97 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 62.25 111.155 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.17 2.25 42.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.893 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 tt -51.03 -30.01 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 65.54 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -123.52 28.25 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.843 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.0 41.1 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.703 ' CB ' HD23 ' A' ' 92' ' ' LEU . 11.3 m-85 63.48 38.1 10.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.922 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -52.26 -33.13 40.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 75.02 111.151 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.48 -35.46 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.079 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.13 -34.08 75.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 73.5 110.91 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.97 -49.55 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.148 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.88 -29.94 61.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.872 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 -57.38 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 61.11 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.552 HD13 HG21 ' A' ' 69' ' ' VAL . 40.3 mm -58.85 -38.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.119 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.44 -33.11 72.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.1 t -76.56 -55.05 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 72.53 110.815 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.32 -53.73 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.136 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 72.43 110.909 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.767 0.317 . . . . 72.15 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -73.19 -25.79 60.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.877 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -116.31 -25.09 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 20.33 110.815 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.93 -25.94 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -52.77 -33.92 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.93 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -55.22 -26.56 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.859 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mmt -55.2 -29.33 57.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 34.33 110.886 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -77.19 -26.65 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.896 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.717 ' O ' HG22 ' A' ' 43' ' ' THR . 28.5 mm-40 -75.51 -24.23 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.936 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.5 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.177 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.2 mmm -76.59 -44.02 36.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.842 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.76 -19.77 64.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.05 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.1 t -114.4 43.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.856 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 70' ' ' LEU . 53.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.845 0.355 . . . . 62.45 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -58.84 -33.03 69.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 61.31 110.935 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -51.19 -34.68 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.885 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.22 -42.03 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 55.02 111.108 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.41 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 70.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.35 -39.97 89.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 75.55 110.915 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.751 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.5 tpt180 -77.4 -33.49 55.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.52 110.874 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.5 p -74.7 -44.35 50.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.32 111.153 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -55.68 -26.66 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 65.21 110.862 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.937 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.44 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 73.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.849 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.539 HG23 ' HD3' ' A' ' 65' ' ' LYS . 28.5 mt -128.43 131.05 23.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 70.44 111.085 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 138.85 39.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 70.01 112.351 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -67.77 -10.33 51.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.29 -36.49 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.867 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -92.5 -30.25 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.904 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 96.2 m -73.43 -30.57 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 42.51 111.108 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -50.49 -59.75 6.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 64.42 110.831 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.42 35.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 75.05 112.391 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 65' ' ' LYS . 35.3 t -81.23 -57.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.123 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.39 -43.19 83.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.9 ptm -60.69 -23.71 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.869 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -30.22 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.579 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.8 mt -72.09 -49.61 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.41 -23.99 67.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 64.54 110.939 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.11 -53.99 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -77.4 -30.9 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 4.23 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.045 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.44 23.98 29.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 54.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.74 41.24 5.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 53.24 112.441 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.78 105.48 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 64.15 110.898 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.568 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 73.4 m95 -82.73 -20.51 35.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -52.74 -53.27 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 60.41 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -76.05 -44.38 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.915 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.498 HG22 ' HD1' ' A' ' 89' ' ' TYR . 92.7 mt -56.37 -31.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.126 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.59 -10.04 38.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.909 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -51.79 -29.92 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.968 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.7 23.39 12.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.43 40.36 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.942 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.73 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.4 m-85 61.12 40.55 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.942 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 m -51.39 -32.57 26.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 44.32 111.133 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.17 -36.35 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.31 111.123 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.886 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.88 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.95 -29.75 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.851 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.15 -57.42 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.548 HD13 HG21 ' A' ' 69' ' ' VAL . 38.3 mm -58.5 -35.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.171 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.43 -33.99 73.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.914 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -76.33 -54.94 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 71.32 110.931 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.6 -52.7 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 53.31 111.088 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.774 0.321 . . . . 72.23 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.48 -23.38 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m -114.24 -21.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.928 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -58.27 -24.72 60.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 62.24 110.907 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.0 15.46 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.26 1.43 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.76 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -40.28 29.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.66 -25.95 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 73.55 110.918 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.72 ' O ' HG22 ' A' ' 43' ' ' THR . 17.1 mt-30 -79.96 -23.76 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.892 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.85 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.108 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.44 -32.5 48.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 65.04 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.96 6.06 34.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 60.5 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 39' ' ' GLN . 7.3 t -142.73 52.2 1.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.122 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.934 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 70' ' ' LEU . 98.9 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.944 0.402 . . . . 61.15 111.173 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.31 -24.49 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.88 -38.58 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.954 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.552 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 43.32 111.093 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.93 -21.12 57.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.893 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.42 -43.08 91.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.52 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.0 tpt180 -77.29 -32.69 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.53 110.873 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 66' ' ' THR . 17.7 p -73.12 -46.69 49.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 43.23 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -56.06 -27.05 51.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -63.77 -40.5 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.914 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.22 15.55 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.94 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 64.32 74.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.892 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' ILE . 17.4 mt -133.98 124.58 17.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 64.03 111.16 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.19 29.89 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.726 2.284 . . . . 74.23 112.366 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -19.1 37.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 65.15 110.802 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.37 -42.58 98.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.33 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.654 ' O ' HG23 ' A' ' 69' ' ' VAL . 6.5 ptmm? -89.54 -29.43 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.33 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 56' ' ' THR . 88.4 m -73.04 -30.52 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.095 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.495 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.57 -60.06 5.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 71.35 110.863 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.72 -12.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 43.11 112.364 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.1 t -81.45 -57.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.121 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.79 -43.77 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.6 ptm -60.08 -23.41 63.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -30.39 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.875 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.6 mt -75.67 -51.59 12.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 71.02 110.941 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.764 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.47 -24.18 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 42.4 110.948 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.13 -53.74 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.944 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.37 -29.83 53.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 75.5 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.33 4.57 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 52.41 111.078 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.99 31.89 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 42.1 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.764 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.45 39.33 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.823 -0.703 . . . . 73.12 112.506 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.69 104.94 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 74.55 110.818 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.552 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.4 m95 -81.33 -20.71 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 65.4 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.42 -52.87 51.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 65.31 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -76.81 -42.26 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.558 HD12 HD13 ' A' ' 74' ' ' LEU . 91.4 mt -58.55 -25.45 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 75.3 111.139 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.74 7.97 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.807 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.3 tt -62.87 -16.73 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 44.44 110.89 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.75 27.46 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 52.21 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 66.19 40.92 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 71.14 110.877 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.721 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.1 m-85 61.25 40.32 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.848 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -51.98 -29.53 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 75.5 111.164 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.64 -35.03 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 64.32 111.099 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.3 pp -68.42 -34.95 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 70.24 110.852 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.89 -50.9 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 60.32 111.188 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.08 -29.83 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.25 -57.26 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 62.44 111.18 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.765 HG13 HD13 ' A' ' 61' ' ' ILE . 41.3 mm -59.2 -46.75 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -60.81 -29.89 69.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 70.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.6 t -76.3 -54.38 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.832 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 95' ' ' ALA . 14.5 t -64.54 -52.07 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.139 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.884 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.745 0.307 . . . . 73.21 111.089 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.74 -21.67 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -116.09 -17.88 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.9 -25.31 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.865 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -51.83 -30.01 21.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -31.0 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.882 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 23.4 mmm -52.03 -31.02 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 32.23 110.871 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.44 -47.67 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 65.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -73.02 -24.12 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 37' ' ' MET . . . -61.15 -22.83 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 61.02 111.109 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.03 -49.16 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.3 -22.05 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.91 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -103.31 -22.37 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.13 111.185 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.53 110.9 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 70' ' ' LEU . 5.2 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 73.34 111.18 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.98 -24.62 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.964 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -61.04 -32.47 72.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.847 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 56' ' ' THR . . . -68.66 -36.07 78.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.02 111.127 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 66' ' ' THR . 81.8 mt -59.09 -21.38 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 63.53 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.23 -40.98 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 75.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.78 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.8 tpt180 -77.04 -33.18 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.897 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.1 p -74.45 -43.22 57.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 40.44 111.136 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -57.94 -26.38 62.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.37 -40.05 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.837 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.51 14.34 17.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.856 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.39 74.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.859 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 27.8 mt -130.64 130.62 22.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 63.22 111.107 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.35 39.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.241 . . . . 75.53 112.283 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -67.75 -10.38 52.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.873 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.68 -40.34 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -90.25 -27.5 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.912 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 91.6 m -73.1 -30.45 63.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.103 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.68 -59.9 6.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 74.1 110.869 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.7 -14.78 36.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.744 2.296 . . . . 51.41 112.373 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 65' ' ' LYS . 33.4 t -81.08 -56.95 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.189 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 pp -58.07 -43.04 86.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.893 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.3 ptm -60.21 -23.55 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.82 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -71.6 -29.64 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.04 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.541 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.9 mt -72.21 -40.16 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 54.4 110.916 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.2 mm? -70.28 -23.18 62.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.919 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -60.99 -50.65 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -77.07 -42.92 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -74.43 -2.82 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.084 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.9 22.6 62.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 94.59 36.9 5.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 61.41 112.554 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.84 106.35 13.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 55.15 110.917 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 76.0 m95 -80.8 -22.68 39.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -51.88 -52.42 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.877 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.64 -42.99 40.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 65.25 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 96.0 mt -58.36 -24.62 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.488 . . . . 64.03 111.11 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.96 -0.34 42.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.857 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.73 -25.5 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.34 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.05 26.39 7.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.89 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.78 42.95 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.695 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.3 m-30 60.76 41.92 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -55.94 -29.94 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.15 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.72 -36.73 65.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.09 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.05 -34.15 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 43.53 110.878 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.04 -49.03 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.25 111.133 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.4 -29.82 61.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.854 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 -56.97 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 41.8 mm -59.62 -40.19 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.22 111.134 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.61 -32.61 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -76.5 -54.82 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.826 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.11 -54.07 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.54 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.53 110.926 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.815 0.34 . . . . 72.21 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.41 -27.99 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.939 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -132.25 15.49 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 51.35 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -88.89 -25.66 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.851 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.63 15.48 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.898 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -79.46 -28.3 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.844 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mtm -63.43 -20.43 65.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.874 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -51.76 -34.08 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 65.44 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -57.56 -33.3 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.36 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.079 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.0 mmm -54.36 -49.11 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.87 -18.27 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.992 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -131.46 66.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.151 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.947 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG11 ' HE3' ' A' ' 67' ' ' MET . 55.2 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.777 0.322 . . . . 71.01 111.064 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.66 -31.34 69.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 73.5 110.925 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -50.63 -33.44 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 72.52 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.42 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 74.21 111.069 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.88 -19.79 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.892 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -66.13 -40.36 90.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.88 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.75 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.33 -33.58 55.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.876 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.818 HG22 HD13 ' A' ' 92' ' ' LEU . 17.5 p -74.51 -46.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 53.04 111.131 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -54.19 -27.29 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.89 -40.69 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.945 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 14.86 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.95 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.27 73.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.14 110.937 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.455 HD12 ' HB ' ' A' ' 56' ' ' THR . 20.0 mt -130.25 131.01 23.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 71.3 111.072 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 138.77 38.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 65.43 112.349 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -67.71 -10.31 51.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.6 -37.36 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.869 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 69' ' ' VAL . 9.1 ptmm? -92.38 -30.39 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 HG21 ' A' ' 56' ' ' THR . 99.4 m -74.78 -30.73 61.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.245 -0.434 . . . . 64.53 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.55 ' CE ' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -50.62 -59.16 7.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 73.24 110.855 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.75 -15.41 37.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 52.23 112.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 96' ' ' ILE . 32.1 t -80.71 -56.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.692 ' O ' HD12 ' A' ' 74' ' ' LEU . 2.8 pp -56.86 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 21.2 ptm -68.92 -25.22 64.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.824 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -62.77 -30.77 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 72.53 110.865 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 91' ' ' ALA . 1.8 mt -81.12 -49.77 10.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.912 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.1 mt -66.34 -22.37 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.941 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.75 -52.77 18.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 63.41 110.884 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.66 -38.4 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 72.23 110.851 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 -9.75 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.32 -12.35 62.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.44 112.499 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 46.51 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 60.13 112.531 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.3 100.7 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 71.53 110.843 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.577 ' CE2' HD21 ' A' ' 74' ' ' LEU . 94.9 m95 -69.01 -30.57 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -54.74 -54.81 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.789 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.51 -37.64 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.959 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.498 HD13 ' HG ' ' A' ' 74' ' ' LEU . 92.8 mt -66.18 -24.75 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 70.55 111.168 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -1.22 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.26 -30.97 12.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 43.1 110.848 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -119.53 26.1 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.55 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.49 43.97 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.846 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.722 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 61.64 33.97 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.962 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.4 m -51.65 -33.71 34.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 75.34 111.085 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' HB3' HD13 ' A' ' 73' ' ' LEU . . . -51.04 -36.15 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 65.13 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.818 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -66.32 -35.62 80.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 54.31 110.845 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.7 t -62.62 -49.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 62.51 111.09 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.04 -30.98 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.89 -57.57 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 33.01 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.643 HD13 HG21 ' A' ' 69' ' ' VAL . 35.8 mm -56.58 -46.64 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.095 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -60.74 -30.53 70.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.886 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -76.5 -55.38 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.5 t -62.48 -51.37 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 74.1 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.812 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.717 0.294 . . . . 62.44 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -73.65 -23.9 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 m -113.64 -21.91 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.44 -26.3 41.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 63.12 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.74 -25.84 66.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 70.12 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -53.0 -29.11 27.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.893 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 ttt -52.67 -29.39 26.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -56.18 -25.4 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 43' ' ' THR . 19.8 mt-30 -54.48 -33.76 60.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 54.35 110.914 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.55 67.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 53.04 111.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.39 -44.63 28.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.02 -30.16 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 71.51 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 39' ' ' GLN . 11.2 t -99.72 30.93 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.058 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.816 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.741 HG11 ' HE1' ' A' ' 67' ' ' MET . 84.3 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.878 0.371 . . . . 65.51 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.9 -21.32 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.888 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -71.01 -37.05 72.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 56' ' ' THR . . . -63.1 -41.97 99.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 40.41 111.076 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.98 -23.65 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.64 -52.39 65.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.697 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.49 -32.27 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 74.14 110.867 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 66' ' ' THR . 9.4 p -74.26 -31.33 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 54.23 111.118 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -68.07 -35.83 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.868 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.31 -36.03 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.829 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.1 mt -87.79 6.57 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.898 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 65.43 75.88 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 96' ' ' ILE . 22.3 mt -137.37 131.02 17.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.65 0.738 . . . . 70.01 111.083 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 139.72 40.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.47 -10.74 54.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.08 -31.75 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.926 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -99.57 -25.11 14.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.808 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 56' ' ' THR . 87.7 m -74.99 -30.41 61.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.741 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.69 -58.98 7.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 73.43 110.882 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.78 -15.15 36.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 2.233 . . . . 74.41 112.316 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 65' ' ' LYS . 41.7 t -80.81 -50.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.182 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.635 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.3 pp -69.28 -39.6 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.4 ppp? -68.67 -23.21 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.9 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -65.4 -30.56 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 mt -83.49 -43.08 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.933 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -71.26 -23.87 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.909 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.86 -52.54 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -77.28 -39.26 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.39 -12.47 60.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 61.33 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 -9.51 71.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 73.01 112.515 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.02 50.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.15 112.481 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.35 101.98 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 72.13 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -72.58 -27.84 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 t -55.89 -44.09 77.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.31 110.839 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.06 -37.89 17.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 75.52 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.547 HD13 ' HG ' ' A' ' 74' ' ' LEU . 90.9 mt -65.99 -26.0 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.52 111.113 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -0.64 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.949 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.09 -31.51 13.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -119.35 26.64 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.811 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.95 40.96 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.911 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.685 ' CB ' HD23 ' A' ' 92' ' ' LEU . 12.8 m-85 63.43 37.62 10.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -51.5 -33.33 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.33 -35.94 40.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.076 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.697 HD21 ' CG ' ' A' ' 55' ' ' ARG . 1.2 pp -66.56 -33.97 76.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -65.1 -49.08 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.17 -30.06 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.3 -57.39 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 63.54 111.127 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 61' ' ' ILE . 41.0 mm -58.41 -36.32 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.16 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 t -76.43 -54.93 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.88 -54.9 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 62.23 111.112 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.941 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 70.31 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.97 -25.13 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 t -116.03 -23.53 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 61.24 110.859 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.79 -23.31 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.881 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.69 15.5 14.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -77.74 -25.97 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.861 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.14 -43.66 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -54.19 -35.4 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.66 ' O ' HG22 ' A' ' 43' ' ' THR . 69.6 mt-30 -58.24 -23.15 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -19.78 60.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 51.04 111.098 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.3 mmm -85.33 -43.66 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.848 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.46 -26.27 63.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.956 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.9 t -97.56 36.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.178 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.903 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG11 ' HE3' ' A' ' 67' ' ' MET . 88.6 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.801 0.334 . . . . 74.12 111.097 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.98 -21.28 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.888 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -74.88 -37.17 62.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.43 98.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.35 111.079 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.58 -20.4 55.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 55.23 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -41.78 87.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.13 -33.19 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.778 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.19 -47.61 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.157 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.36 -27.82 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -63.04 -40.65 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.865 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.37 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 73.1 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 64.3 74.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.736 HD13 HG13 ' A' ' 96' ' ' ILE . 23.3 mt -130.04 131.17 23.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 74.23 111.112 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.0 41.81 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.719 2.279 . . . . 73.41 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.82 -10.42 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 54.42 110.81 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.59 -34.0 60.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.912 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.08 -30.76 12.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 52.22 110.861 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.713 ' CG2' HG21 ' A' ' 56' ' ' THR . 90.8 m -70.98 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.155 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.505 ' HE3' HG11 ' A' ' 49' ' ' VAL . 1.4 mmt -50.54 -60.7 4.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.569 0.699 . . . . 71.43 110.878 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.8 -14.17 35.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.752 2.301 . . . . 71.12 112.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.5 t -79.84 -57.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 71.11 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 71' ' ' MET . 4.0 pp -58.79 -44.59 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 62.12 110.91 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.571 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -59.16 -26.26 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.92 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.44 -30.19 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 62.31 110.865 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.449 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.9 mt -75.03 -42.49 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.4 mm? -67.07 -23.78 65.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.62 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.71 -31.07 52.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.891 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.81 3.81 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 54.23 111.078 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.49 23.98 29.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 71.25 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.92 38.71 6.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.466 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -115.75 104.03 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.361 . . . . 71.45 110.884 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.41 ' CE2' HD11 ' A' ' 74' ' ' LEU . 69.8 m95 -79.6 -22.31 43.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.99 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -52.44 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.35 110.837 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.41 -41.86 38.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.8 mt -59.06 -26.31 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.13 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.36 8.07 44.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.947 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.51 -17.27 59.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.874 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.0 26.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 110.876 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.76 39.78 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.955 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.707 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.6 m-85 61.32 40.5 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.917 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -51.47 -33.04 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 65.02 111.15 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -51.65 -35.8 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.21 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.97 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.146 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.51 -29.74 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.916 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -56.96 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.103 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.736 HG13 HD13 ' A' ' 61' ' ' ILE . 43.3 mm -59.77 -37.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.18 -33.82 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -76.5 -54.98 5.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.093 -0.503 . . . . 61.14 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.71 -53.55 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.189 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 55.43 110.919 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.855 0.36 . . . . 55.54 111.216 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.11 -17.17 35.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -114.22 -20.68 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.55 -28.86 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.01 15.39 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 42.41 110.911 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.07 -27.99 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.933 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 ttm -76.8 -25.7 53.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -72.99 -20.68 60.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.896 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -51.89 -57.55 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.54 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 61.2 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.4 -25.35 50.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 38' ' ' GLN . 3.3 mm? -78.2 -9.02 59.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 75.22 110.945 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -67.89 0.93 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.19 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.944 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.613 HG13 ' CD1' ' A' ' 70' ' ' LEU . 51.7 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 72.44 111.086 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.873 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -51.53 -31.44 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.862 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.25 -38.35 68.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.05 111.088 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' OD2' ' A' ' 63' ' ' ASP . 42.5 mt -60.14 -20.02 56.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.958 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.87 -43.0 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.935 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.755 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.2 tpt180 -77.59 -32.84 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 62.02 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 66' ' ' THR . 17.4 p -72.17 -46.33 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 50.13 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.33 -27.1 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.21 -40.24 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.958 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.66 14.07 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.915 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.72 73.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.32 110.824 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 96' ' ' ILE . 38.6 mt -132.0 130.85 22.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 61.12 111.145 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.99 39.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 52.22 112.353 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD2' HD22 ' A' ' 53' ' ' LEU . 17.6 m-20 -67.71 -10.3 51.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 74.52 110.787 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.1 -38.19 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.862 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -91.42 -28.94 17.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.883 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 56' ' ' THR . 98.1 m -73.8 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.139 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.1 -59.32 7.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.677 . . . . 65.03 110.887 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.72 -13.07 34.25 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 70.04 112.303 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.9 t -80.8 -57.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 52.33 111.125 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.613 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.85 -43.38 85.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.851 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -59.57 -23.64 63.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.898 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -29.98 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.2 mt -74.72 -51.36 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.01 110.98 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.779 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.75 -24.17 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.23 -53.66 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 71.51 110.922 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.0 -30.39 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.868 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.91 4.02 31.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.106 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.57 23.1 34.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 73.41 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.779 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 90.38 39.84 5.89 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.81 -0.71 . . . . 73.32 112.516 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.78 105.58 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 70.22 110.88 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.1 m95 -82.18 -20.28 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.939 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.864 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.37 -42.82 24.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.556 HD12 HD13 ' A' ' 74' ' ' LEU . 92.3 mt -57.81 -27.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 51.53 111.103 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.26 -0.87 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.835 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.4 tt -56.14 -23.88 37.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.903 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.76 25.17 7.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.863 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.68 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.864 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.715 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.3 m-85 61.15 40.53 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -51.62 -33.57 33.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.507 . . . . 62.4 111.16 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.46 -35.97 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.079 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.755 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.4 -34.52 77.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.64 -49.47 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.191 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.85 -29.89 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 63.55 110.904 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.773 HG13 HD13 ' A' ' 61' ' ' ILE . 42.7 mm -59.46 -38.93 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.166 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.57 -33.18 72.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.93 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -76.36 -54.88 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.83 -54.37 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.123 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.87 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 27.1 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 55.03 111.063 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -26.54 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.914 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -116.25 -25.12 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.847 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.98 -25.74 45.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 65.45 110.835 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 31' ' ' VAL . 2.3 mm? -64.3 -25.93 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.929 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.26 -28.2 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.822 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 ttt -80.98 -32.44 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.816 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -57.87 -23.57 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.937 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 24.9 mm-40 -53.99 -36.8 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.79 68.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 53.13 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.7 mmt -79.33 -44.86 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.07 -29.02 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.17 25.54 4.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.103 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 52.24 110.859 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' A' ' 70' ' ' LEU . 5.9 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 61.13 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.3 mt -52.71 -33.63 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.23 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -51.16 -32.95 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.15 110.924 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.37 -41.42 66.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.052 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.63 -20.28 54.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.275 -0.42 . . . . 64.34 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.69 -42.44 91.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.944 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.753 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.3 tpt180 -77.13 -33.02 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 64.23 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 66' ' ' THR . 21.1 p -73.48 -46.92 45.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 51.33 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -55.89 -27.36 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 63.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -64.58 -40.15 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.1 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.53 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 64.18 73.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.886 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -129.65 131.3 23.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 64.54 111.218 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 138.84 38.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 72.33 112.346 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.62 -10.31 50.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.819 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.65 -32.52 60.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.877 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.18 -30.77 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.86 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 56' ' ' THR . 97.0 m -73.47 -30.79 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.14 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.506 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -51.62 -59.6 7.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 73.43 110.913 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.73 -15.21 37.08 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 73.44 112.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 65' ' ' LYS . 23.7 t -81.5 -49.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.41 111.129 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' A' ' 49' ' ' VAL . 2.6 pp -64.94 -40.05 94.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.909 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 16.9 ptt? -61.44 -25.04 66.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 64.51 110.871 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -30.88 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 74.1 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.5 mt -70.38 -46.15 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.872 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.677 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -72.02 -22.47 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.33 110.924 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.4 -54.02 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.867 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.39 -36.4 45.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.48 -17.95 60.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 70.44 111.157 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.75 11.0 82.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 21.31 112.48 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.677 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 97.27 39.34 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 71.14 112.536 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.32 108.43 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 74.32 110.904 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.494 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.7 m95 -85.18 -20.49 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.929 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.0 t -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -86.64 -45.73 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.12 110.944 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 73' ' ' LEU . 95.7 mt -58.0 -25.21 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 75.31 111.094 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.39 1.55 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.93 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.0 tt -62.47 -16.95 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -130.94 26.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.819 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 65.89 42.45 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.915 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.72 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 60.18 41.3 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.939 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -52.78 -30.97 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 53.4 111.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.85 -36.44 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.07 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.753 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.69 -33.59 75.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.52 111.0 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.85 -49.43 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.24 111.134 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -74.65 -29.99 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.35 110.888 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.35 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 61.54 111.067 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 69' ' ' VAL . 37.8 mm -58.48 -37.74 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.152 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.916 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -77.17 -55.03 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.59 -47.01 89.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.894 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.738 0.304 . . . . 65.33 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.44 -23.82 53.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -116.0 -23.74 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.905 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -57.89 -27.2 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 64.11 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.9 15.48 14.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.74 -26.0 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.8 ttp -61.04 -27.25 68.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.0 -26.25 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 70.31 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 43' ' ' THR . 77.3 mt-30 -60.35 -24.09 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.38 67.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 70.45 111.067 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.49 -45.4 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.885 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.16 -21.0 64.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 65.03 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -114.72 44.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 72.02 111.136 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.5 110.844 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 70' ' ' LEU . 55.4 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.821 0.343 . . . . 63.2 111.157 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.8 mt -55.04 -32.38 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 33.24 110.889 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -50.88 -32.77 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.862 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.24 -45.35 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 64.34 111.18 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -56.84 -23.36 43.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 62.2 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -59.45 -48.17 82.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 61.24 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.87 -32.96 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 70.33 110.948 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 66' ' ' THR . 5.7 p -71.13 -38.69 72.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.34 111.158 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -54.45 -36.92 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -64.81 -33.19 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.551 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -91.52 4.06 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.921 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.91 73.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.05 110.905 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HG13 ' A' ' 96' ' ' ILE . 14.8 mt -132.39 129.83 21.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 64.3 111.121 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 136.05 32.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 74.04 112.323 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -17.75 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.905 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.12 -44.33 84.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 41.11 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 69' ' ' VAL . 12.4 ptmt -88.88 -28.34 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.934 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' THR . 88.7 m -74.54 -30.32 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.108 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.525 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -49.89 -59.31 7.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 71.22 110.814 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.74 -13.65 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 74.33 112.337 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.7 t -80.99 -56.28 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -61.3 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.92 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.11 -23.48 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.42 110.914 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HE2' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -72.78 -30.3 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.51 110.923 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' HE2' ' A' ' 72' ' ' LYS . 6.8 mt -71.8 -46.71 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.926 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.89 -23.91 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.24 110.956 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -54.03 51.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.52 -30.83 53.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.98 4.38 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 72.14 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.54 28.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 72.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.53 39.39 6.31 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.733 -0.746 . . . . 61.0 112.561 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.82 106.42 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 74.22 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.57 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 66.1 m95 -82.37 -20.3 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -52.8 -52.14 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.31 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -77.55 -42.43 35.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.914 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 74' ' ' LEU . 94.7 mt -58.41 -26.85 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.22 111.164 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.43 6.37 48.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 50.41 110.916 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.7 tt -63.19 -16.13 59.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 45.45 110.972 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.07 27.36 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 65.6 41.64 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.907 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.4 m-30 60.12 40.99 17.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 64.41 110.965 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.4 m -51.33 -33.52 29.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 54.14 111.203 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.47 -36.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.32 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -66.61 -34.05 77.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.927 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.72 -48.99 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.085 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -74.38 -30.14 61.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.67 -56.82 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.139 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.8 HG13 HD13 ' A' ' 61' ' ' ILE . 38.4 mm -61.72 -35.75 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.14 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.7 -33.73 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -76.07 -54.74 6.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 42.25 110.826 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.03 -56.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 65.2 110.916 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.313 . . . . 65.42 111.114 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -75.08 -24.99 58.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -116.02 -24.59 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.512 . . . . 74.11 110.864 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.98 -26.16 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 74.32 110.825 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -25.19 35.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.436 . . . . 71.21 110.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.92 -40.5 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.875 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.41 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -74.78 -45.43 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 43' ' ' THR . 9.3 pt20 -66.69 -31.65 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.81 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.066 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 mmm -81.91 -41.22 21.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 65.54 110.843 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.67 -25.08 61.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.945 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.2 t -100.64 36.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.155 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.621 HG11 ' HE1' ' A' ' 67' ' ' MET . 87.7 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.899 0.381 . . . . 53.43 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.03 -22.34 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 54.15 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.91 -38.7 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.915 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -64.25 -43.9 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 62.4 111.073 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.09 -22.86 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.956 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.69 -42.26 91.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.11 110.848 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.741 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.21 -32.65 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.905 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 92' ' ' LEU . 17.8 p -73.77 -46.67 44.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 73.01 111.161 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -54.82 -26.82 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.43 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -63.57 -40.58 97.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 72.42 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.55 16.4 12.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.73 74.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.903 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 96' ' ' ILE . 16.0 mt -135.12 118.45 13.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 52.22 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.41 32.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 63.41 112.388 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -20.0 28.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 54.22 110.838 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.52 -31.6 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.9 ptmt -104.26 -28.49 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 71.11 110.934 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.587 HG21 HG21 ' A' ' 56' ' ' THR . 69.7 m -73.74 -30.49 62.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.186 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.621 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -50.03 -59.59 6.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 74.33 110.884 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.5 Cg_endo -69.7 -14.43 36.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 74.21 112.408 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.8 t -81.14 -57.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 65.14 111.117 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -58.21 -43.19 87.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.034 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.432 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.4 ptt? -60.08 -23.34 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.913 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.77 -30.54 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.14 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.7 mt -74.13 -50.35 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 63.34 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.755 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.7 mm? -61.47 -24.05 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.965 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -53.91 52.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.859 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -77.27 -30.38 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.3 31.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 51.14 111.083 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.73 31.04 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.755 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.71 39.13 6.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 43.21 112.494 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.66 105.04 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.335 . . . . 75.44 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.548 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.5 m95 -81.06 -21.75 39.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.942 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 t -51.79 -51.95 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.867 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.25 -42.57 36.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 75.54 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 74' ' ' LEU . 94.0 mt -58.6 -25.16 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.33 111.173 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 6.72 47.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.887 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.27 -17.28 58.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -133.93 27.42 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.833 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 40.97 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.9 m-85 61.1 40.36 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 64.32 110.935 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -51.67 -33.39 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.37 -36.68 44.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.13 111.088 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.741 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.02 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.41 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.17 -49.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.152 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.44 -29.94 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.853 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.89 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.775 HG13 HD13 ' A' ' 61' ' ' ILE . 43.9 mm -60.83 -35.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.41 111.136 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.21 -34.75 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -76.26 -54.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.865 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.36 -54.29 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 61.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.903 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 73.34 111.098 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -77.57 -22.97 50.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -115.9 -24.22 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 61.4 110.845 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.49 -26.18 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.34 110.94 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -90.0 -25.81 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 52.15 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.67 -34.43 73.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.24 110.864 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -26.76 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.849 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.82 -28.05 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 43' ' ' THR . 2.4 pt20 -60.02 -32.75 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.5 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.05 111.094 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.8 mtp -81.19 -28.97 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.6 6.49 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -139.59 48.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.13 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 65.22 110.93 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.686 HG13 ' CD1' ' A' ' 70' ' ' LEU . 93.1 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.876 0.37 . . . . 75.43 111.089 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.33 -25.98 65.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.15 -40.3 90.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.896 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.88 -42.8 99.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 53.42 111.107 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.89 -21.41 57.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 60.45 110.895 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.82 -38.82 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.35 110.853 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG3' HD21 ' A' ' 92' ' ' LEU . 5.7 tpt180 -77.56 -34.43 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.936 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 66' ' ' THR . 13.3 p -74.89 -44.69 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.24 111.172 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.29 -26.77 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.13 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -65.14 -39.68 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 12.5 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 60.23 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.08 75.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.867 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.644 HD13 HG13 ' A' ' 96' ' ' ILE . 37.6 mt -130.42 131.28 23.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 74.24 111.163 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.25 32.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.744 2.296 . . . . 72.41 112.316 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -67.82 -9.9 48.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 65.13 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.81 -23.96 55.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -108.79 -25.24 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.904 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 56' ' ' THR . 11.9 m -75.98 -37.19 58.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.559 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.9 mmm -49.08 -56.74 14.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 64.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.81 -15.48 36.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 74.11 112.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.1 t -81.52 -56.01 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 74.2 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.686 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.06 -44.44 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.4 ppp? -60.39 -23.39 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.822 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -30.17 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.4 mt -75.28 -51.28 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.9 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -57.84 -24.07 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.887 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -53.8 53.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.826 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -77.47 -29.58 52.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.2 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.53 3.88 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 65.3 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.76 19.93 37.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 92.25 40.51 5.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 73.13 112.485 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.55 103.57 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 73.33 110.906 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.608 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 64.9 m95 -81.54 -21.78 38.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -51.24 -50.64 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 61.11 110.875 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.03 -43.21 24.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 74' ' ' LEU . 88.9 mt -58.25 -24.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.32 111.197 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.3 -2.41 39.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.925 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 86' ' ' LEU . 10.4 tt -53.01 -27.54 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.42 110.943 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.73 24.33 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.813 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.14 40.7 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.883 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.726 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.43 40.33 14.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.933 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -51.76 -30.5 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.45 111.132 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.77 -36.82 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 61.31 111.098 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.726 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -65.68 -33.77 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.884 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.64 -49.65 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 73.22 111.089 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.02 -29.74 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.47 -57.19 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 44.13 111.073 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.644 HG13 HD13 ' A' ' 61' ' ' ILE . 39.6 mm -58.86 -38.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.172 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.42 -33.45 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.966 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 t -76.52 -55.09 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.43 110.799 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.02 -53.58 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.081 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.862 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 64.14 111.083 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -67.5 -29.84 69.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 62.53 110.973 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -137.54 18.46 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.87 -30.87 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.3 110.881 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -24.81 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.9 -30.18 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -35.0 33.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.92 -26.02 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 53.41 110.95 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 20.4 mm-40 -54.65 -34.07 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.909 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HG22 ' A' ' 43' ' ' THR . . . -63.45 -25.14 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.135 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.3 mtp -81.51 -43.92 18.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.72 -26.46 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 62.54 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.41 24.19 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 60.01 111.19 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 61.33 110.88 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 70' ' ' LEU . 19.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 74.33 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.61 -34.06 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.12 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -50.76 -34.78 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.911 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.629 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.4 -37.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.41 111.12 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.41 -21.37 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.934 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HG3' HD21 ' A' ' 92' ' ' LEU . 6.2 tpt180 -78.05 -32.97 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.831 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 66' ' ' THR . 7.9 p -74.73 -43.72 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.149 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -54.24 -26.02 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.28 -37.63 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.879 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.56 15.06 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 65.41 75.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.9 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 96' ' ' ILE . 16.8 mt -135.02 118.47 13.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 63.31 111.182 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 135.05 29.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 73.04 112.367 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.44 -20.06 27.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.87 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.08 -28.27 68.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.808 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.8 ptmt -109.49 -26.07 10.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 56' ' ' THR . 9.6 m -76.41 -34.36 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.18 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.554 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 10.8 mmm -49.29 -57.15 12.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.499 0.666 . . . . 65.44 110.848 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.1 Cg_endo -69.72 -15.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 73.4 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.7 t -81.53 -56.0 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.22 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.647 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.21 -44.61 97.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.937 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.6 ppp? -60.25 -23.48 64.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -71.87 -30.28 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.0 mt -76.09 -51.43 12.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.14 110.881 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.752 HD12 ' HA2' ' A' ' 79' ' ' GLY . 4.0 mm? -57.81 -24.2 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 64.25 110.916 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.11 -53.77 54.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.898 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.28 -29.53 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 3.84 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.063 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.49 20.74 39.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 71.15 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.752 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 91.69 40.63 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 43.4 112.439 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.6 103.59 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 73.41 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.629 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.0 m95 -81.68 -20.79 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -51.52 -50.7 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.35 110.905 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.56 -43.02 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 64.43 110.912 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 74' ' ' LEU . 88.6 mt -58.19 -24.5 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 50.34 111.18 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -0.4 42.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 63.51 110.894 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.61 -25.79 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.938 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.92 24.59 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.44 40.58 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.8 m-85 61.38 40.27 14.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.897 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -51.54 -30.4 20.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 73.35 111.194 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.57 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.1 pp -65.78 -34.06 77.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.917 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 t -64.13 -50.0 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.33 111.179 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.97 -29.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 64.22 110.888 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.19 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 51.13 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 61' ' ' ILE . 42.6 mm -60.98 -34.87 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 64.1 111.115 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.3 -34.65 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 72.12 110.963 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -76.25 -54.7 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.69 -55.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.088 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.45 110.855 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.819 0.342 . . . . 63.05 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -35.26 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -118.09 -28.09 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.55 110.882 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.18 -26.1 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 73.32 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.81 -31.01 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.22 110.891 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.66 -26.03 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.81 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.84 -31.76 66.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 63.41 110.952 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -63.39 -61.52 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 43' ' ' THR . 31.8 mt-30 -56.87 -25.62 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.845 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -33.46 65.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.151 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.0 mmm -55.01 -52.37 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 61.41 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.39 -26.37 65.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -123.6 66.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 62.42 111.086 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.93 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG11 ' HE1' ' A' ' 67' ' ' MET . 94.6 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.885 0.374 . . . . 51.44 111.148 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.21 -23.06 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.44 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -76.69 -34.24 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.937 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 56' ' ' THR . . . -56.1 -30.72 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.122 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' OD1' ' A' ' 63' ' ' ASP . 64.4 mt -71.07 -19.1 62.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.75 -42.19 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.4 tpt180 -77.68 -33.15 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.89 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' THR . 21.4 p -72.6 -46.9 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.05 111.13 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -55.37 -27.33 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.835 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.43 -40.61 97.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.78 14.59 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.35 74.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -132.75 130.85 21.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 74.31 111.139 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.02 41.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.666 2.244 . . . . 75.14 112.371 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' HD21 ' A' ' 53' ' ' LEU . 12.7 t0 -67.42 -10.96 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.87 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.05 -37.61 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 70.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.2 ptmm? -91.4 -29.09 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 72.11 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 56' ' ' THR . 97.7 m -72.65 -30.5 64.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.173 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.555 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.96 -59.98 5.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 62.43 110.851 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.4 Cg_endo -69.76 -14.47 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 70.03 112.374 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 96' ' ' ILE . 38.6 t -80.76 -56.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.138 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 pp -58.96 -41.2 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.838 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.463 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.2 ppp? -60.5 -25.22 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.837 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.4 mt -70.07 -42.58 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.866 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -74.61 -23.04 58.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 70.22 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -42.26 75.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.852 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.25 -46.01 18.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -18.47 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.52 111.059 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.86 12.21 72.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 63.14 112.449 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 102.9 40.59 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.51 112.43 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.57 103.9 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.4 110.848 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -81.39 -21.27 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.995 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -52.67 -54.58 31.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.847 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.69 -43.69 45.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.871 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.487 HG22 ' HD1' ' A' ' 89' ' ' TYR . 96.6 mt -57.12 -30.55 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 71.21 111.159 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.39 1.58 54.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.902 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 tp -62.86 -16.4 58.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.41 110.983 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.87 26.98 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.883 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 65.91 41.3 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.03 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.2 m-30 60.57 40.8 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -51.58 -29.93 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.141 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.539 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -54.8 -34.47 62.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.35 111.116 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.4 pp -69.59 -35.36 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.874 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.02 -51.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.42 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -74.83 -29.83 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.831 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.48 -57.32 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.121 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 38.2 mm -57.86 -46.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.32 111.138 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.44 -30.64 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 64.55 110.956 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 -54.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.52 110.932 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.6 t -63.26 -53.25 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 75.34 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.2 110.946 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.764 0.316 . . . . 72.13 111.108 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.13 -21.92 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -114.55 -22.59 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.937 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -55.61 -25.97 41.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 61.25 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -79.62 -33.17 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.902 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.82 -24.0 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.863 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm -70.72 -41.05 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.872 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.09 -25.07 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 43' ' ' THR . 16.3 mm-40 -80.94 -23.77 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 61.3 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -23.58 66.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.12 111.053 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtp -75.56 -41.72 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 72.4 110.92 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.26 -13.54 61.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.949 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 39' ' ' GLN . 8.1 t -124.01 50.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 51.12 111.165 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.902 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 70' ' ' LEU . 19.6 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.869 0.366 . . . . 71.1 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.85 -34.19 58.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.945 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -50.94 -35.15 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.856 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.58 -40.92 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 53.34 111.144 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.43 -20.42 59.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 71.11 110.897 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -65.64 -42.26 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.7 tpt180 -77.15 -32.54 56.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.892 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 66' ' ' THR . 20.9 p -73.95 -45.14 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 63.23 111.156 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -53.97 -25.9 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 74.42 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.08 -37.78 86.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 12.67 26.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 53.35 110.942 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.0 75.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.3 110.85 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 96' ' ' ILE . 39.8 mt -130.32 131.47 23.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 71.41 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 136.39 33.02 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 71.25 112.353 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.81 -9.82 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.89 -23.24 58.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -110.17 -25.41 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.848 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 56' ' ' THR . 10.8 m -76.3 -36.95 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 64.53 111.205 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.562 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.8 mmm -49.07 -56.78 13.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.542 0.687 . . . . 73.3 110.876 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.88 -16.02 36.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 72.15 112.248 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.8 t -81.64 -56.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 62.23 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.618 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -59.29 -44.55 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -58.95 -23.48 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.866 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -29.88 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.74 -48.11 27.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -60.56 -24.37 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 53.02 110.929 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.19 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.908 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.46 -29.44 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.926 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.5 5.1 28.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.147 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.14 23.62 33.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.757 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.06 40.6 6.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 61.35 112.42 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.66 103.7 10.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 71.52 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.636 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 65.9 m95 -81.22 -20.96 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 75.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -52.24 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.828 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.67 -42.57 34.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.907 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 74' ' ' LEU . 91.0 mt -58.44 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 74.52 111.138 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.6 2.57 47.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 65.01 110.935 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.2 25.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.881 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 40.91 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.883 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.5 m-85 61.13 40.28 15.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -51.39 -31.33 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.42 -36.54 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 42.53 111.137 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -65.74 -34.07 77.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 63.33 110.974 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.6 -49.6 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.147 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.88 -29.79 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 -57.0 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 61.42 111.065 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.645 HG13 HD13 ' A' ' 61' ' ' ILE . 39.9 mm -59.43 -37.92 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 63.24 111.144 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.5 -33.61 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.893 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -76.57 -55.0 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.85 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -53.6 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 40.22 111.169 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.15 110.856 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 71.03 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -30.69 71.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 61.42 110.833 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -141.3 20.01 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.882 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -88.81 -32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.882 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.29 -26.19 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.52 -33.69 46.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.891 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -54.91 -30.04 57.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.857 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -61.25 -26.93 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 43' ' ' THR . 17.5 mm-40 -60.69 -24.54 65.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.3 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.2 111.171 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mmm -73.65 -50.0 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -22.91 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 60.35 110.989 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.0 t -111.62 42.45 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 74.05 111.165 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 73.03 110.872 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG11 ' HE1' ' A' ' 67' ' ' MET . 98.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.384 . . . . 72.24 111.154 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.74 -21.34 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 63.54 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -74.52 -31.94 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 64.43 110.925 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -74.4 -28.42 61.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.078 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.29 -23.58 54.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.31 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -35.84 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.69 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -78.65 -36.27 44.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.849 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.868 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.56 -45.16 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -53.81 -27.84 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.54 -40.68 97.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 70.41 110.932 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.59 14.27 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.5 110.895 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 63.96 73.09 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.84 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.579 HD12 ' HB ' ' A' ' 56' ' ' THR . 23.7 mt -127.21 131.3 23.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.3 39.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 73.1 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.75 -10.31 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.895 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.55 -35.12 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.901 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.2 ptmm? -95.29 -30.38 13.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.953 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.563 ' CG2' HG21 ' A' ' 56' ' ' THR . 74.0 m -73.56 -30.58 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 70.43 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.583 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -51.12 -59.74 7.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 72.03 110.885 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.84 -14.53 35.96 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.6 2.2 . . . . 45.43 112.348 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 96' ' ' ILE . 24.9 t -81.18 -57.13 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.101 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.8 pp -58.19 -42.98 87.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 41.23 110.894 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.8 ptp -60.13 -23.56 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -30.14 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.834 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.3 mt -71.71 -41.17 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.3 mm? -68.99 -23.75 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 70.52 110.924 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.5 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 71.53 110.944 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.82 -31.35 51.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.24 4.79 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.149 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.59 24.59 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 74.44 112.514 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 88.91 38.58 6.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 71.25 112.506 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -115.76 103.97 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 62.44 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 72.3 m95 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.946 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -51.96 -52.22 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -76.71 -42.66 40.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.1 mt -58.77 -26.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.55 111.174 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.01 7.29 46.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 75.54 110.877 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.4 tt -62.36 -17.22 58.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.959 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.95 27.34 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 60.23 110.85 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.29 40.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.928 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.38 40.12 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.898 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.0 m -51.6 -31.83 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 65.21 111.128 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -52.89 -35.23 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 65.34 111.084 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.868 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -68.24 -35.28 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.3 t -61.28 -50.64 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 52.12 111.111 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.864 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.55 -57.36 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 111.083 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 69' ' ' VAL . 39.8 mm -58.55 -45.88 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.72 -31.17 70.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -76.73 -55.01 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 74.45 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 18.6 t -62.32 -54.11 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 33.45 111.088 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.889 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.818 0.342 . . . . 61.5 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.39 -24.98 59.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.871 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 t -116.12 -23.67 8.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -58.27 -22.94 54.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mp -92.77 15.48 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.88 -26.87 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.865 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.7 mmm -68.42 -25.34 64.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 63.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -54.41 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 pt20 -61.32 -30.23 70.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.5 -25.21 65.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.125 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.1 mmt -71.01 -39.62 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 63.13 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.77 -8.41 55.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.89 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.1 t -131.49 66.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.154 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.826 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG13 HD11 ' A' ' 70' ' ' LEU . 95.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.852 0.358 . . . . 63.51 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.5 mt -67.5 -29.64 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -62.25 -41.21 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.965 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.59 80.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 42.52 111.079 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.56 -19.93 65.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -67.05 -40.17 87.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.826 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.682 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.05 -34.11 57.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.92 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.973 HG22 HD13 ' A' ' 92' ' ' LEU . 38.9 p -74.76 -46.78 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 65.44 111.17 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -53.63 -27.37 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.877 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.57 -40.24 96.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.934 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 12.28 21.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.69 74.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 53.4 110.845 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 96' ' ' ILE . 34.4 mt -129.15 131.4 23.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.678 0.751 . . . . 73.53 111.127 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.57 35.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 65.2 112.321 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -67.62 -10.16 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.72 -24.25 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -111.02 -23.05 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.936 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.735 ' CG2' HG21 ' A' ' 56' ' ' THR . 27.4 m -76.43 -37.64 56.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 64.21 111.203 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.575 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 13.3 mmm -50.9 -55.87 24.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 53.04 110.896 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.74 -17.22 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.27 . . . . 61.01 112.359 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' LYS . 6.9 t -81.64 -47.79 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.097 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD11 HG13 ' A' ' 49' ' ' VAL . 2.9 pp -70.86 -38.78 73.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 51.22 110.826 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.411 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 7.3 ptp -66.04 -24.79 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.918 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.12 -35.69 81.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 6.3 mt -73.36 -41.88 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 84' ' ' ILE . 2.3 mt -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.928 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.36 -50.47 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.855 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.5 -38.52 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.52 110.835 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.9 -16.09 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 62.43 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.58 -11.23 72.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.756 . . . . 23.04 112.469 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' A' ' 74' ' ' LEU . . . 114.29 46.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 70.01 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.34 101.79 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 72.14 110.826 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.52 ' CH2' HD11 ' A' ' 74' ' ' LEU . 95.7 m95 -72.39 -26.69 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 63.52 110.924 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.3 t -53.56 -54.66 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 52.24 110.817 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -76.42 -39.31 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.577 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.5 mt -62.63 -25.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 72.04 111.143 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 1.95 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 65.32 110.974 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tp -50.78 -30.05 13.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 52.3 110.947 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -121.01 27.13 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.886 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.93 3.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 64.15 110.895 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.702 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.3 m-85 62.35 38.0 13.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.957 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 m -51.83 -33.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 61.14 111.167 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.29 -35.79 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.079 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -65.89 -34.17 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.898 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.0 t -65.3 -49.19 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -74.82 -29.82 61.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.844 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -57.38 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.137 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 61' ' ' ILE . 40.9 mm -59.02 -35.46 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.54 111.166 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.22 -34.72 74.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -76.33 -54.95 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.424 HG12 ' NZ ' ' A' ' 65' ' ' LYS . 21.6 t -59.0 -53.58 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.163 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.912 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.798 0.333 . . . . 75.11 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.46 74.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 62.14 112.49 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -111.66 141.16 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 64.11 110.885 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -95.95 126.42 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.877 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -122.75 84.37 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.854 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -141.67 161.71 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.907 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -139.78 156.64 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.834 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -142.13 155.39 45.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.814 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -152.95 146.4 24.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.59 149.4 49.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 p -168.88 132.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.845 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -95.09 -37.83 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.03 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.55 62.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 65.2 112.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -70.67 125.71 27.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 52.41 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.28 156.17 75.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 73.12 111.15 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.02 15.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 73.14 112.36 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -143.76 145.84 32.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.51 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.92 144.8 12.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 73.12 112.466 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m -109.92 74.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 51.3 110.862 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -133.8 115.86 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.85 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mtp -121.08 113.92 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 tp -160.08 137.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 p -80.24 65.31 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 53.22 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -56.56 -47.08 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 62.45 110.904 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -100.63 174.86 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.577 ' C ' HD23 ' A' ' 27' ' ' LEU . . . -129.16 -157.43 9.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.72 . . . . 63.24 112.497 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD23 ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER 41.67 36.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.359 . . . . 70.34 110.928 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -140.36 -178.77 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.4 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -60.23 -172.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.812 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t 63.12 44.67 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.861 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.9 m -95.16 45.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.125 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -87.6 -12.12 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.21 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -113.22 -22.21 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 33.45 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.9 -26.27 46.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 62.23 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -85.46 -34.41 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -55.26 -26.39 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.843 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 ttt -55.42 -26.12 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.45 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 43' ' ' THR . 33.6 mm-40 -64.6 -41.07 96.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.3 -23.71 64.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 45.22 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.3 mtt -70.9 -34.12 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.47 -0.56 42.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.933 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -140.32 66.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.173 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.83 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.08 -174.89 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.925 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.59 ' HB2' HG23 ' A' ' 49' ' ' VAL . 3.3 m-20 -139.17 -179.36 5.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 62.11 110.917 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.72 -42.09 74.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 63.24 110.952 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -32.49 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.24 110.939 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 46' ' ' ASP . 91.7 t -57.91 -29.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 71.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.27 -21.42 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.01 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.27 -44.15 97.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 64.44 111.128 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.2 -22.0 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.903 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.2 -46.11 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 65.51 110.925 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -76.51 -32.66 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.869 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 66' ' ' THR . 10.5 p -69.4 -43.98 72.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.102 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -30.49 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.875 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.03 -42.27 84.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.35 11.67 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.15 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 t0 63.73 63.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.754 HD13 HG13 ' A' ' 96' ' ' ILE . 32.8 mt -117.33 131.39 24.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 70.11 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.76 41.09 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 71.13 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.8 -10.54 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.854 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.44 -38.21 63.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -91.78 -28.66 17.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.909 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 56' ' ' THR . 97.4 m -74.09 -30.12 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.72 -59.45 6.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 64.41 110.877 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.71 -13.22 34.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 63.53 112.385 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.8 t -81.4 -57.31 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.6 pp -57.77 -43.78 85.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.967 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.436 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.9 ptt? -60.05 -23.29 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.886 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -73.49 -30.33 63.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.1 mt -75.74 -51.53 12.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.959 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.94 -24.14 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.9 -53.72 55.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.852 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -77.33 -29.76 53.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.63 30.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.056 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.92 23.66 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 64.12 112.477 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.8 39.47 6.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 52.11 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.63 103.99 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 64.14 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 67.6 m95 -80.85 -21.0 41.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.13 -52.47 51.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.891 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.28 -42.34 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.891 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 74' ' ' LEU . 91.5 mt -58.55 -25.16 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.63 8.25 45.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.907 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.912 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.54 27.0 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.865 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.06 40.8 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.714 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.91 40.7 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 51.22 110.912 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -51.6 -30.42 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.32 111.142 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.52 -36.43 64.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.108 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.04 -34.45 77.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.942 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.27 -50.05 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.167 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.64 -29.85 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.852 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -56.99 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.129 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 61' ' ' ILE . 40.2 mm -60.0 -37.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.42 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.1 -33.79 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -76.48 -55.06 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 54.12 110.82 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.87 -54.3 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -50.9 -31.17 16.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 54.41 110.896 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.78 150.04 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 52.11 87.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.85 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.59 -25.57 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.35 110.905 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -23.86 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -61.66 96.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.23 110.908 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -179.38 161.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.2 110.85 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -80.7 -56.37 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.19 -85.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 62.13 112.507 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 71.21 110.869 -179.78 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtm . . . . . 0 C--O 1.229 0.021 0 CA-C-O 120.82 0.343 . . . . 74.12 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.75 -108.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 74.23 112.511 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 58.34 48.23 12.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 72.43 110.84 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.2 p -135.7 129.59 32.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.937 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -127.09 167.78 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 53.51 110.816 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -100.28 148.22 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 71.1 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -110.86 161.37 15.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -163.99 -176.35 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -146.71 133.98 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.3 110.881 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -140.12 -179.71 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.835 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -97.32 156.46 16.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.848 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -113.55 167.17 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 70.05 110.855 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.62 -60.75 8.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 73.01 112.421 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp 56.93 41.19 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 72.13 110.892 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.75 156.18 62.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 71.45 111.124 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 178.84 4.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 74.32 112.35 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -170.58 129.34 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.905 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.6 82.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 45.21 112.401 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -125.22 143.6 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 72.43 110.852 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -106.81 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 ttt 55.05 51.04 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.87 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 tt -76.84 146.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.168 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -84.3 56.9 3.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.812 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -46.87 88.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 65.42 110.919 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.7 m -156.55 176.98 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.15 110.819 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.16 42.63 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.44 112.497 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 tp -116.31 -16.88 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 72.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.1 p -109.45 155.94 20.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 70.13 111.17 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m 59.86 25.72 14.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 72.05 110.881 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.1 p -59.09 -176.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 63.1 110.819 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.98 44.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 62.34 111.133 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.19 -25.89 63.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 63.15 110.878 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 m -116.56 -23.07 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.845 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.28 -45.88 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.77 15.41 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.982 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.94 -27.81 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.3 mtm -53.09 -41.68 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.8 -38.62 58.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.85 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 43' ' ' THR . 12.0 mm100 -63.17 -22.47 66.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -22.58 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 53.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.6 mtt -76.0 -38.72 57.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.17 -18.15 60.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 52.11 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 39' ' ' GLN . 2.9 t -118.13 66.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 65.21 111.118 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -83.33 -172.07 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.835 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.69 149.39 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.927 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.699 ' HB2' HG23 ' A' ' 49' ' ' VAL . 4.8 m-20 -137.96 161.55 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.51 110.859 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.07 -43.91 90.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.921 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -32.64 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.937 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.699 HG23 ' HB2' ' A' ' 46' ' ' ASP . 95.8 t -58.45 -27.99 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -68.38 -21.45 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.51 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -73.45 -38.07 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.34 111.122 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.86 -21.3 56.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.75 -41.37 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.13 -33.33 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.878 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.79 HG22 HD13 ' A' ' 92' ' ' LEU . 23.0 p -74.36 -47.2 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.27 -27.3 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -63.36 -40.45 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.81 13.64 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 52.1 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.29 74.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.876 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.649 HD13 HG13 ' A' ' 96' ' ' ILE . 26.4 mt -129.65 131.03 23.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 70.4 111.145 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.51 40.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.757 2.305 . . . . 71.21 112.335 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.68 -10.38 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.859 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -75.73 -32.76 60.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.87 -30.95 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.32 110.881 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.724 ' CG2' HG21 ' A' ' 56' ' ' THR . 55.1 m -71.15 -30.48 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.127 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.49 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -51.16 -60.53 5.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 61.11 110.895 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.69 -14.93 37.02 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.717 2.278 . . . . 62.23 112.362 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 96' ' ' ILE . 25.1 t -80.04 -57.39 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 34.31 111.133 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 71' ' ' MET . 3.9 pp -58.67 -45.04 90.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.946 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.576 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -58.37 -25.66 62.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.83 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -67.09 -30.2 70.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 70.23 110.943 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.1 mt -75.33 -42.22 54.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.749 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -67.27 -23.93 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 63.12 110.943 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.12 -54.19 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -77.62 -30.96 52.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 62.11 110.862 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.77 3.98 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 65.11 111.12 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.4 24.26 29.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 53.25 112.414 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.749 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.27 39.0 6.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.535 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.7 103.86 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 74.01 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.423 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.9 m95 -79.92 -20.99 44.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.72 -53.26 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.812 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.4 -41.94 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.878 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 77' ' ' ALA . 97.5 mt -58.49 -26.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 75.52 111.095 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.03 8.52 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.85 -16.77 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.25 26.22 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 61.22 110.851 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.22 39.8 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.711 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.7 m-85 61.21 40.59 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 63.14 110.954 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.2 m -51.54 -33.03 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 72.24 111.126 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.86 -36.08 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.35 110.989 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -67.95 -34.59 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 74.4 110.952 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.23 -49.69 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.097 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -74.45 -29.76 61.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 53.11 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.24 -56.96 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.652 HD13 HG21 ' A' ' 69' ' ' VAL . 43.1 mm -60.36 -36.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 51.22 111.084 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.19 -34.53 73.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -76.36 -54.97 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.31 110.895 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.29 -53.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 74.04 111.181 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -51.18 -31.1 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -65.96 -51.92 54.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.87 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.99 113.7 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 65.43 110.906 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -116.44 -36.81 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.915 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.89 -40.46 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.33 110.872 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.77 38.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 53.14 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -178.56 139.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.799 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.44 -68.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.69 -45.44 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 74.11 112.423 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 72.44 110.903 -179.729 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.844 0.354 . . . . 33.32 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.34 -62.51 1.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 64.12 112.444 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -108.64 108.22 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 74.22 110.834 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.4 t -80.52 -30.96 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.853 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -154.95 146.78 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.825 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -83.61 128.5 34.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.31 110.827 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -96.63 133.83 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.72 136.93 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 70.32 110.851 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -104.07 109.08 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 72.33 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -141.39 138.84 33.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 71.32 110.841 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 m -139.17 138.49 36.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.931 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -146.58 132.38 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.14 110.872 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.12 85.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 42.13 112.446 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.19 -55.86 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 71.33 110.954 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.7 156.01 2.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 64.02 111.078 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.678 2.252 . . . . 53.35 112.401 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -61.88 121.16 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 72.41 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.09 153.17 22.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 61.21 112.499 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -152.08 123.26 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 74.55 110.917 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -175.64 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 75.35 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.1 ttp -123.16 131.1 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.25 149.46 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 65.42 111.197 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -59.82 -56.41 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.864 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.3 39.4 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 61.31 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 t -148.06 139.87 23.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.03 49.86 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 71.13 112.49 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.0 pt? -126.68 13.66 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 74.35 110.919 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -106.76 169.49 8.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 62.33 111.102 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t -145.37 -177.08 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 64.32 110.885 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -168.81 -178.72 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.878 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -89.86 48.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 64.2 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.84 -24.17 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 62.42 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -116.19 -22.98 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.822 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.45 -44.2 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 72.42 110.847 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.0 15.48 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.891 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.46 -23.9 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.8 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -21.34 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 62.31 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.95 -24.99 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.738 ' O ' HG22 ' A' ' 43' ' ' THR . 5.1 pp0? -54.38 -32.05 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.26 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 42.2 111.092 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.7 mtp -79.66 -33.83 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.76 -6.68 59.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 39' ' ' GLN . 6.9 t -128.18 52.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 72.22 111.21 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -52.38 117.65 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 149.42 4.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 65.2 110.879 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.83 163.17 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.41 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.96 -42.05 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.858 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.672 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.69 -31.26 71.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 63.24 110.875 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG23 ' HD2' ' A' ' 48' ' ' LYS . 36.8 t -62.4 -31.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.122 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.56 -32.43 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.912 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -51.07 -34.11 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.61 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.62 -42.23 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.45 111.089 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.62 -20.41 55.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.928 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.58 -40.84 93.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.22 -33.3 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.885 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 66' ' ' THR . 6.0 p -74.18 -43.75 56.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 53.44 111.13 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -56.5 -26.3 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.869 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -65.24 -39.79 93.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.916 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.97 14.01 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.854 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.23 73.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.914 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.464 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.8 mt -130.13 131.2 23.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.692 0.758 . . . . 72.45 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.78 138.8 38.61 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 61.41 112.348 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.78 -10.22 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.928 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.36 -37.72 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.949 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.7 ptmm? -91.46 -30.21 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.841 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 56' ' ' THR . 99.0 m -75.03 -30.31 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.076 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.13 -59.47 6.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 54.33 110.85 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.0 Cg_endo -69.71 -13.23 34.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 74.23 112.362 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.2 t -81.31 -57.36 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.115 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.75 -43.58 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp -60.19 -23.28 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.883 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -30.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.936 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.3 mt -75.88 -51.57 12.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.12 -24.16 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 54.15 110.922 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.36 -53.82 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.835 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.04 -30.34 55.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.96 4.05 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.12 111.089 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.27 23.36 33.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 41.33 112.518 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.783 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.85 40.49 5.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 53.31 112.495 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.79 106.26 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 72.32 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.61 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.4 m95 -83.92 -20.19 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 t -52.82 -48.01 67.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 64.03 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.21 -42.71 18.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.472 . . . . 63.55 110.964 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.561 HD12 HD13 ' A' ' 74' ' ' LEU . 93.3 mt -58.41 -26.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.097 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.02 7.41 46.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.969 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.9 tt -63.26 -16.23 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.906 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.26 27.44 3.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.843 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 66.12 41.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.723 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.74 40.56 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 70.24 110.884 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -51.73 -30.42 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 70.1 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.1 -35.37 64.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 73.54 111.07 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.22 -34.34 76.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.29 -50.59 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.108 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.77 -29.84 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 54.15 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -70.36 -57.24 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.094 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 69' ' ' VAL . 39.7 mm -58.8 -45.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.134 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.66 -31.01 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.928 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -76.61 -55.14 5.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.8 t -62.38 -53.64 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.173 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -50.81 -31.06 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.827 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -58.88 -51.14 71.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.885 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -119.02 120.23 36.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.821 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -116.54 -47.17 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -78.06 -24.8 47.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.937 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -57.86 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 70.22 110.924 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -129.41 123.32 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 62.3 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -120.39 49.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 72.2 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.16 -138.74 7.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 61.13 112.501 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 65.41 110.9 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 73.51 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.42 -179.36 22.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 61.11 112.493 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -127.74 143.52 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 65.11 110.867 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.8 p -136.6 126.6 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.903 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -70.55 163.65 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 72.02 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -104.35 173.72 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 74.03 110.913 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -151.02 -177.97 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 42.22 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -152.58 128.15 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.83 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -152.27 142.99 22.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.838 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -166.47 127.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -121.31 143.32 49.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -163.11 126.04 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.785 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.44 157.56 9.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 61.25 112.462 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -126.73 161.96 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 73.42 110.933 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.41 156.22 36.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.65 0.738 . . . . 53.44 111.14 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.96 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 54.35 112.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -138.81 158.45 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 73.22 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.54 150.41 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 73.14 112.477 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 t -82.74 67.05 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 62.04 110.842 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -104.61 93.19 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 58.9 ttp -99.67 147.89 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.866 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.2 tp -172.72 148.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 54.24 111.051 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -77.57 61.16 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 54.11 110.834 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.9 45.87 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 72.15 110.86 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -54.82 121.45 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.891 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.17 98.18 0.94 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 61.31 112.442 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 103' ' ' ASN . 3.6 tt -109.99 -8.77 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 71.52 110.981 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -160.21 176.14 12.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.095 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -134.55 34.59 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.11 110.848 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -114.16 -171.3 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m -92.14 47.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.11 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -76.57 -23.42 53.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.815 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -115.44 -23.34 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.92 -28.39 64.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.05 15.42 18.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.837 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.1 mmm -53.7 -38.49 64.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.01 -24.93 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.936 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.743 ' O ' HG22 ' A' ' 43' ' ' THR . 21.2 mm-40 -88.17 -23.79 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.13 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.43 111.073 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtp -76.19 -40.84 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.68 -16.25 61.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.934 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.6 t -119.96 47.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.13 116.37 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 62.53 110.894 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 163.4 2.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.853 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.679 ' HB2' HG23 ' A' ' 49' ' ' VAL . 41.7 m-20 -147.95 170.02 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.21 110.79 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -62.61 -42.73 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 72.44 110.911 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -32.6 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.925 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG23 ' HB2' ' A' ' 46' ' ' ASP . 92.4 t -58.96 -29.33 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 54.35 111.123 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.39 -25.41 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -64.08 -38.5 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.9 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 70.34 111.028 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.09 -21.22 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.29 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 54.15 110.898 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.711 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.61 -34.66 53.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.813 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.731 HG22 HD13 ' A' ' 92' ' ' LEU . 7.3 p -75.2 -44.81 44.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -54.47 -27.11 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 70.42 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.4 -39.45 93.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.856 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.57 13.23 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.12 74.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 43.34 110.872 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.0 mt -129.45 131.07 23.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 52.53 111.182 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 139.63 40.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.705 2.27 . . . . 75.4 112.349 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.54 -10.54 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 41.31 110.872 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -75.99 -32.11 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 65.43 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.99 -29.05 13.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.881 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.718 HG21 HG21 ' A' ' 56' ' ' THR . 98.0 m -74.34 -30.9 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.562 ' CE ' HD21 ' A' ' 70' ' ' LEU . 1.3 mmt -51.08 -59.03 8.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.507 0.67 . . . . 43.32 110.874 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.99 36.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 71.03 112.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 65' ' ' LYS . 25.1 t -80.79 -48.21 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 65.11 111.067 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 ' CE ' ' A' ' 67' ' ' MET . 2.6 pp -70.27 -37.76 74.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 70.45 110.914 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.16 -22.95 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.888 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.937 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 3.8 mt -83.69 -44.72 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -69.8 -23.8 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.54 110.86 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.24 -51.61 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 70.21 110.833 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.16 -39.94 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.03 110.916 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.49 -14.39 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 41.13 111.109 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.88 -9.22 77.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 70.51 112.473 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.42 49.31 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 52.33 112.554 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.26 101.89 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.774 0.321 . . . . 61.04 110.842 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -72.57 -28.57 62.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -54.32 -44.49 72.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 62.24 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.87 -41.76 13.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.549 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.4 mt -61.21 -26.97 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 62.25 111.155 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.17 2.25 42.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.893 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 tt -51.03 -30.01 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 65.54 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -123.52 28.25 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.843 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.0 41.1 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.703 ' CB ' HD23 ' A' ' 92' ' ' LEU . 11.3 m-85 63.48 38.1 10.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.922 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -52.26 -33.13 40.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 75.02 111.151 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.48 -35.46 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.079 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.13 -34.08 75.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 73.5 110.91 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.97 -49.55 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.148 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.88 -29.94 61.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.872 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 -57.38 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 61.11 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.552 HD13 HG21 ' A' ' 69' ' ' VAL . 40.3 mm -58.85 -38.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.119 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.44 -33.11 72.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.1 t -76.56 -55.05 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 72.53 110.815 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.32 -53.73 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.136 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -50.69 -31.67 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 72.43 110.909 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -95.09 -173.67 3.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 62.22 110.808 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ASP . 11.6 pt-20 37.36 65.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 53.42 110.866 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.519 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.8 m120 -88.79 -25.6 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 71.51 110.887 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -27.88 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 44.21 110.906 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -85.47 72.42 10.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.941 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -133.32 77.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 62.42 110.83 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 49.24 46.93 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 61.43 110.841 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -98.65 169.82 23.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 54.41 112.483 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 54.33 110.885 -179.734 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 65.53 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.87 147.35 4.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 41.43 112.526 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -52.98 119.32 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 74.41 110.889 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t -168.34 128.6 1.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 44.11 110.815 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 t60 56.14 51.77 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.846 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -84.44 -26.09 28.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 61.72 47.74 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 65.22 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -150.76 143.34 24.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.813 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -133.76 150.01 51.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 65.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -76.25 100.67 5.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 61.15 110.902 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -82.74 154.75 24.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.829 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -147.96 150.16 33.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.51 110.902 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.37 112.3 4.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.764 . . . . 53.54 112.438 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 tp -72.3 128.62 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 75.32 110.925 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.71 156.13 80.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 62.44 111.224 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 63.35 112.368 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -125.87 70.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.846 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.26 171.69 24.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.719 . . . . 55.52 112.507 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -99.35 174.99 6.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.421 . . . . 73.05 110.828 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.33 37.89 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 74.42 110.869 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.2 tpt -112.16 110.85 21.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 52.45 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.9 tt -134.59 137.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -78.82 63.57 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 75.35 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.77 -32.38 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.37 149.28 48.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 52.04 110.849 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.94 -41.65 0.16 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.437 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 pt? -105.02 11.95 32.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 73.54 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -83.61 105.71 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 44.03 111.117 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m 55.28 44.63 27.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.4 m -127.45 132.0 50.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 60.02 110.875 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 36.94 44.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 72.15 111.104 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -73.19 -25.79 60.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.877 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -116.31 -25.09 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 20.33 110.815 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.93 -25.94 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -52.77 -33.92 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.93 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -55.22 -26.56 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.859 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mmt -55.2 -29.33 57.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 34.33 110.886 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -77.19 -26.65 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.896 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.717 ' O ' HG22 ' A' ' 43' ' ' THR . 28.5 mm-40 -75.51 -24.23 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.936 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.5 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.177 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.2 mmm -76.59 -44.02 36.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.842 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.76 -19.77 64.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.05 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.1 t -114.4 43.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -51.76 118.06 3.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.856 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 173.39 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 75.22 110.875 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.31 176.47 8.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.836 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.01 -53.56 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 75.2 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.624 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -57.14 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.936 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG23 ' HD2' ' A' ' 48' ' ' LYS . 53.0 t -58.87 -33.34 49.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 62.45 111.148 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -58.84 -33.03 69.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 61.31 110.935 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -51.19 -34.68 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.885 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.22 -42.03 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 55.02 111.108 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.41 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 70.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.35 -39.97 89.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 75.55 110.915 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.751 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.5 tpt180 -77.4 -33.49 55.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.52 110.874 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.5 p -74.7 -44.35 50.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.32 111.153 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -55.68 -26.66 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 65.21 110.862 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.937 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.44 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 73.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.849 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.539 HG23 ' HD3' ' A' ' 65' ' ' LYS . 28.5 mt -128.43 131.05 23.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 70.44 111.085 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 138.85 39.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 70.01 112.351 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -67.77 -10.33 51.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.29 -36.49 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.867 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -92.5 -30.25 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.904 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 96.2 m -73.43 -30.57 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 42.51 111.108 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -50.49 -59.75 6.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 64.42 110.831 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.42 35.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 75.05 112.391 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 65' ' ' LYS . 35.3 t -81.23 -57.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.123 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.39 -43.19 83.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.9 ptm -60.69 -23.71 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.869 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -30.22 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.8 mt -72.09 -49.61 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.41 -23.99 67.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 64.54 110.939 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.11 -53.99 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -77.4 -30.9 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 4.23 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.045 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.44 23.98 29.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 54.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.74 41.24 5.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 53.24 112.441 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.78 105.48 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 64.15 110.898 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.568 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 73.4 m95 -82.73 -20.51 35.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -52.74 -53.27 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 60.41 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -76.05 -44.38 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.915 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.498 HG22 ' HD1' ' A' ' 89' ' ' TYR . 92.7 mt -56.37 -31.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.126 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.59 -10.04 38.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.909 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -51.79 -29.92 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.968 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.7 23.39 12.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.43 40.36 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.942 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.73 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.4 m-85 61.12 40.55 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.942 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 m -51.39 -32.57 26.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 44.32 111.133 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.17 -36.35 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.31 111.123 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.886 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.88 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.95 -29.75 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.851 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.15 -57.42 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.548 HD13 HG21 ' A' ' 69' ' ' VAL . 38.3 mm -58.5 -35.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.171 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.43 -33.99 73.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.914 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -76.33 -54.94 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 71.32 110.931 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.6 -52.7 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 53.31 111.088 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.77 -31.41 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.56 -51.81 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.905 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -121.92 120.39 34.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 52.51 110.895 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -109.99 -23.81 11.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.845 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -40.16 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 74.03 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 49.87 30.7 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 t -179.72 141.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.807 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.85 -176.13 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.515 . . . . 73.34 110.844 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.99 -100.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.717 . . . . 75.21 112.529 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 63.32 110.822 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.795 0.331 . . . . 55.12 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.24 -163.2 26.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 65.31 112.502 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -75.72 168.44 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 50.33 110.882 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.8 m -144.85 -177.96 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.802 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -137.34 168.3 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 75.33 110.86 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 61.69 47.12 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.803 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -69.62 141.21 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -127.5 30.64 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 55.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -64.19 160.01 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.904 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -132.39 179.93 5.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 p -139.68 122.43 16.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -102.13 -50.38 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 63.24 110.879 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 108.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 64.32 112.55 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -149.81 147.39 27.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 74.41 110.921 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.45 156.2 77.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 63.51 111.111 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 177.35 5.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.636 2.224 . . . . 71.24 112.344 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -125.38 122.53 37.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.76 -151.75 18.68 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 63.24 112.465 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -161.99 111.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.378 . . . . 70.22 110.843 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -105.31 -31.52 9.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.8 tpt -107.72 112.17 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.13 110.883 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 tp -121.22 142.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 63.43 111.081 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -78.6 60.11 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 28' ' ' THR . 2.2 tp -69.1 -43.3 74.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.893 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -59.23 133.12 55.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 41.43 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.86 -52.97 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 73.11 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.42 11.08 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.391 . . . . 72.42 110.93 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 24' ' ' LEU . 22.6 p -73.14 159.53 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.157 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -65.58 157.69 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.919 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -124.37 -169.87 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.918 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -94.06 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 72.23 111.141 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.48 -23.38 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m -114.24 -21.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.928 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -58.27 -24.72 60.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 62.24 110.907 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.0 15.46 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.26 1.43 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.76 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -40.28 29.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.66 -25.95 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 73.55 110.918 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.72 ' O ' HG22 ' A' ' 43' ' ' THR . 17.1 mt-30 -79.96 -23.76 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.892 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.85 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.108 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.44 -32.5 48.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 65.04 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.96 6.06 34.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 60.5 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 39' ' ' GLN . 7.3 t -142.73 52.2 1.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.122 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -51.87 117.86 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.934 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.67 166.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 54.22 110.889 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.582 ' HB2' HG23 ' A' ' 49' ' ' VAL . 13.4 m-20 -131.64 -179.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.86 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.24 -41.66 76.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.01 110.908 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -32.61 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.86 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 46' ' ' ASP . 98.9 t -57.14 -28.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 61.15 111.173 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.31 -24.49 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.88 -38.58 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.954 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.552 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 43.32 111.093 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.93 -21.12 57.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.893 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.42 -43.08 91.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.52 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.0 tpt180 -77.29 -32.69 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.53 110.873 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 66' ' ' THR . 17.7 p -73.12 -46.69 49.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 43.23 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -56.06 -27.05 51.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -63.77 -40.5 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.914 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.22 15.55 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.94 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 64.32 74.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.892 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' ILE . 17.4 mt -133.98 124.58 17.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 64.03 111.16 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.19 29.89 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.726 2.284 . . . . 74.23 112.366 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -19.1 37.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 65.15 110.802 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.37 -42.58 98.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.33 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.654 ' O ' HG23 ' A' ' 69' ' ' VAL . 6.5 ptmm? -89.54 -29.43 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.33 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 56' ' ' THR . 88.4 m -73.04 -30.52 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.095 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.495 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.57 -60.06 5.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 71.35 110.863 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.72 -12.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 43.11 112.364 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.1 t -81.45 -57.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.121 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.79 -43.77 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.6 ptm -60.08 -23.41 63.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -30.39 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.875 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.6 mt -75.67 -51.59 12.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 71.02 110.941 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.764 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.47 -24.18 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 42.4 110.948 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.13 -53.74 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.944 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.37 -29.83 53.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 75.5 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.33 4.57 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 52.41 111.078 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.99 31.89 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 42.1 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.764 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.45 39.33 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.823 -0.703 . . . . 73.12 112.506 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.69 104.94 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 74.55 110.818 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.552 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.4 m95 -81.33 -20.71 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 65.4 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.42 -52.87 51.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 65.31 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -76.81 -42.26 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.558 HD12 HD13 ' A' ' 74' ' ' LEU . 91.4 mt -58.55 -25.45 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 75.3 111.139 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.74 7.97 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.807 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.3 tt -62.87 -16.73 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 44.44 110.89 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.75 27.46 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 52.21 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 66.19 40.92 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 71.14 110.877 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.721 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.1 m-85 61.25 40.32 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.848 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -51.98 -29.53 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 75.5 111.164 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.64 -35.03 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 64.32 111.099 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.3 pp -68.42 -34.95 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 70.24 110.852 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.89 -50.9 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 60.32 111.188 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.08 -29.83 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.25 -57.26 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 62.44 111.18 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.765 HG13 HD13 ' A' ' 61' ' ' ILE . 41.3 mm -59.2 -46.75 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -60.81 -29.89 69.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 70.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.6 t -76.3 -54.38 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.832 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 95' ' ' ALA . 14.5 t -64.54 -52.07 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.139 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.65 -31.47 16.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.58 -64.57 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.882 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -107.51 123.07 47.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 53.24 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -120.65 -33.85 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 65.24 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -99.56 -25.69 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.887 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -77.3 62.81 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -179.1 160.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 53.21 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -136.94 -176.12 4.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.905 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 110.97 -167.63 12.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.463 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 64.31 110.846 -179.73 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 mtp . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.941 0.4 . . . . 75.45 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.95 -92.38 2.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -107.97 141.13 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 60.03 110.793 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -70.35 123.93 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 62.54 110.818 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -133.61 155.56 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.32 110.817 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -134.06 144.78 48.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 70.3 110.822 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -82.05 88.67 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.823 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -109.35 -27.93 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -107.69 165.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.878 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -86.8 74.37 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.819 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 p -77.99 159.76 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.808 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 m 61.34 44.83 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 71.12 110.84 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.75 112.07 3.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 55.54 112.479 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.14 165.54 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.373 . . . . 71.31 110.879 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.48 156.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 60.13 111.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 174.27 9.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 75.24 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -120.92 95.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.9 98.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 60.31 112.491 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -175.46 159.03 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 75.13 110.864 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -52.06 125.5 15.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.796 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 mtt -104.66 -54.07 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 62.2 110.877 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.59 138.14 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.15 111.137 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 t -83.85 65.27 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 70.31 110.816 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.85 -26.85 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.932 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -94.97 100.99 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.813 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.61 103.86 1.5 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 73.14 112.543 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.5 pt? -113.94 11.95 17.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 74.42 110.863 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.6 p -74.9 175.98 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.33 111.222 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -59.11 -176.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 73.23 110.885 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.2 t -107.79 172.73 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.857 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.8 m 37.1 43.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 73.21 111.089 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.74 -21.67 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -116.09 -17.88 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.9 -25.31 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.865 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -51.83 -30.01 21.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -31.0 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.882 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 23.4 mmm -52.03 -31.02 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 32.23 110.871 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.44 -47.67 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 65.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -73.02 -24.12 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 45' ' ' LYS . . . -61.15 -22.83 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 61.02 111.109 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.03 -49.16 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.3 -22.05 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.91 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -103.31 -22.37 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.13 111.185 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.61 111.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.53 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.686 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 3.8 mppt? -51.68 163.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 63.44 110.932 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -145.98 148.13 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.916 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HA ' HD12 ' A' ' 50' ' ' LEU . 18.5 pt-20 -57.81 -47.13 83.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.834 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.811 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -51.78 -30.5 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.876 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.811 HG23 ' HD2' ' A' ' 48' ' ' LYS . 5.2 t -78.05 -39.17 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.18 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 47' ' ' GLU . 18.8 mt -62.98 -24.62 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.964 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -61.04 -32.47 72.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.847 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 56' ' ' THR . . . -68.66 -36.07 78.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.02 111.127 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 66' ' ' THR . 81.8 mt -59.09 -21.38 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 63.53 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.23 -40.98 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 75.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.78 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.8 tpt180 -77.04 -33.18 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.897 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.1 p -74.45 -43.22 57.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 40.44 111.136 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -57.94 -26.38 62.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.37 -40.05 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.837 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.51 14.34 17.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.856 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.39 74.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.859 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 27.8 mt -130.64 130.62 22.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 63.22 111.107 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.35 39.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.241 . . . . 75.53 112.283 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -67.75 -10.38 52.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.873 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.68 -40.34 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -90.25 -27.5 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.912 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 91.6 m -73.1 -30.45 63.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.103 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.68 -59.9 6.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 74.1 110.869 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.7 -14.78 36.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.744 2.296 . . . . 51.41 112.373 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 65' ' ' LYS . 33.4 t -81.08 -56.95 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.189 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 pp -58.07 -43.04 86.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.893 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.3 ptm -60.21 -23.55 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.82 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -71.6 -29.64 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.04 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.541 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.9 mt -72.21 -40.16 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 54.4 110.916 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.2 mm? -70.28 -23.18 62.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.919 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -60.99 -50.65 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -77.07 -42.92 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -74.43 -2.82 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.084 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.9 22.6 62.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 94.59 36.9 5.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 61.41 112.554 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.84 106.35 13.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 55.15 110.917 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 76.0 m95 -80.8 -22.68 39.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -51.88 -52.42 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.877 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.64 -42.99 40.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 65.25 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 96.0 mt -58.36 -24.62 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.488 . . . . 64.03 111.11 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.96 -0.34 42.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.857 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.73 -25.5 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.34 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.05 26.39 7.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.89 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.78 42.95 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.695 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.3 m-30 60.76 41.92 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -55.94 -29.94 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.15 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.72 -36.73 65.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.09 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.05 -34.15 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 43.53 110.878 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.04 -49.03 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.25 111.133 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.4 -29.82 61.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.854 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 -56.97 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 41.8 mm -59.62 -40.19 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.22 111.134 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.61 -32.61 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -76.5 -54.82 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.826 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.11 -54.07 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.54 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -50.95 -31.0 16.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.53 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.9 -68.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.1 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -115.83 136.88 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.899 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -135.92 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -92.99 -10.91 34.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 71.1 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.59 -9.25 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 60.45 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 t 51.89 56.43 7.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 65.34 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -118.18 -29.71 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -128.2 128.09 5.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.471 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 73.22 110.862 -179.716 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 72.52 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.59 121.35 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 70.21 112.537 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -71.23 156.77 39.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 74.23 110.852 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t -117.67 115.71 25.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.864 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -89.55 174.35 7.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 70.05 110.869 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.71 156.38 25.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 74.04 110.893 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -122.03 179.29 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 62.35 110.815 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.15 41.85 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 61.22 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -61.86 134.25 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 55.15 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -125.89 126.79 44.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.888 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -108.67 121.32 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.853 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -80.72 163.33 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 63.12 110.842 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.76 129.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.791 -0.719 . . . . 53.11 112.481 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -163.74 119.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 74.43 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.48 156.19 78.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.675 0.75 . . . . 71.43 111.106 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 102.92 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.726 2.284 . . . . 63.03 112.357 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.08 103.95 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.829 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.45 -166.41 30.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 52.43 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 m -147.69 133.63 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 60.45 110.888 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -141.53 139.0 33.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.839 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mmt 58.68 54.35 5.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.928 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.9 tp -93.05 148.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 54.13 111.145 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 t -54.62 -26.08 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.786 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.32 48.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.947 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -70.79 127.9 34.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.913 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.9 57.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 28' ' ' THR . 4.1 pp -99.39 -169.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 64.03 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.46 ' N ' HD12 ' A' ' 27' ' ' LEU . 22.2 p -45.92 109.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 65.24 111.151 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -51.93 166.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.845 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.4 t -135.59 -171.3 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.87 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 37.01 44.08 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.41 -27.99 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.939 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -132.25 15.49 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 51.35 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -88.89 -25.66 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.851 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.63 15.48 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.898 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -79.46 -28.3 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.844 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mtm -63.43 -20.43 65.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.874 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -51.76 -34.08 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 65.44 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -57.56 -33.3 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.36 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.079 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.0 mmm -54.36 -49.11 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.87 -18.27 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.992 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -131.46 66.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.151 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -71.5 -171.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.947 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.59 167.94 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 70.23 110.938 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.24 164.58 16.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.845 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.86 -43.38 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.73 -30.88 71.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 51.32 110.893 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.622 HG23 ' HD2' ' A' ' 48' ' ' LYS . 55.2 t -59.26 -33.28 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.01 111.064 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.66 -31.34 69.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 73.5 110.925 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -50.63 -33.44 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 72.52 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.42 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 74.21 111.069 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.88 -19.79 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.892 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -66.13 -40.36 90.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.88 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.75 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.33 -33.58 55.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.876 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.818 HG22 HD13 ' A' ' 92' ' ' LEU . 17.5 p -74.51 -46.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 53.04 111.131 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -54.19 -27.29 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.89 -40.69 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.945 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 14.86 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.95 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.27 73.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.14 110.937 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.455 HD12 ' HB ' ' A' ' 56' ' ' THR . 20.0 mt -130.25 131.01 23.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 71.3 111.072 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 138.77 38.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 65.43 112.349 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -67.71 -10.31 51.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.6 -37.36 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.869 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 69' ' ' VAL . 9.1 ptmm? -92.38 -30.39 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 HG21 ' A' ' 56' ' ' THR . 99.4 m -74.78 -30.73 61.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.245 -0.434 . . . . 64.53 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.55 ' CE ' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -50.62 -59.16 7.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 73.24 110.855 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.75 -15.41 37.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 52.23 112.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 96' ' ' ILE . 32.1 t -80.71 -56.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.692 ' O ' HD12 ' A' ' 74' ' ' LEU . 2.8 pp -56.86 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 21.2 ptm -68.92 -25.22 64.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.824 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -62.77 -30.77 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 72.53 110.865 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 91' ' ' ALA . 1.8 mt -81.12 -49.77 10.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.912 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.1 mt -66.34 -22.37 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.941 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.75 -52.77 18.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 63.41 110.884 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.66 -38.4 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 72.23 110.851 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 -9.75 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.32 -12.35 62.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.44 112.499 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 46.51 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 60.13 112.531 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.3 100.7 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 71.53 110.843 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.577 ' CE2' HD21 ' A' ' 74' ' ' LEU . 94.9 m95 -69.01 -30.57 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -54.74 -54.81 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.789 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.51 -37.64 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.959 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.498 HD13 ' HG ' ' A' ' 74' ' ' LEU . 92.8 mt -66.18 -24.75 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 70.55 111.168 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -1.22 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.26 -30.97 12.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 43.1 110.848 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -119.53 26.1 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.55 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.49 43.97 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.846 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.722 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 61.64 33.97 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.962 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.4 m -51.65 -33.71 34.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 75.34 111.085 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' HB3' HD13 ' A' ' 73' ' ' LEU . . . -51.04 -36.15 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 65.13 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.818 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -66.32 -35.62 80.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 54.31 110.845 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.7 t -62.62 -49.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 62.51 111.09 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.04 -30.98 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.89 -57.57 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 33.01 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.643 HD13 HG21 ' A' ' 69' ' ' VAL . 35.8 mm -56.58 -46.64 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.095 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -60.74 -30.53 70.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.886 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -76.5 -55.38 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.5 t -62.48 -51.37 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 74.1 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.95 -31.38 17.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.812 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -53.94 -46.81 71.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.828 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.62 125.66 29.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.851 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -115.49 -52.88 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -95.32 -30.92 13.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -52.05 157.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t 58.51 63.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.851 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.48 144.05 42.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 40.52 110.852 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.52 -77.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 72.25 112.537 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 72.42 110.856 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.779 0.323 . . . . 74.13 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.84 149.71 6.79 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.71 . . . . 64.22 112.571 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -149.71 135.36 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 71.25 110.854 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 m -142.8 141.55 31.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.839 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -113.31 150.05 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.05 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -126.53 149.72 49.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.03 110.848 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -139.01 119.41 13.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.2 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -109.71 145.03 37.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.877 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -113.24 141.47 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.79 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.17 85.41 6.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.35 110.922 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 143.59 51.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.846 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -71.41 165.84 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 64.13 110.845 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.91 -132.27 11.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 70.32 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 54.21 37.75 27.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.33 . . . . 71.41 110.861 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.58 156.02 2.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 71.34 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.713 2.275 . . . . 74.21 112.279 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 162.83 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.933 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.2 106.24 1.94 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 53.34 112.499 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 p -128.51 141.76 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 53.45 110.871 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -122.3 30.42 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.17 155.53 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 75.54 110.843 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 ' CG2' HD23 ' A' ' 24' ' ' LEU . 10.8 tp -166.94 145.36 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.097 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -78.46 59.79 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 54.12 110.83 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD23 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -80.22 -60.03 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.892 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.1 t -94.78 55.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.901 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.71 ' O ' HG23 ' A' ' 28' ' ' THR . . . -125.52 75.03 0.41 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 64.34 112.478 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER 41.66 36.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.386 . . . . 73.53 110.899 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 26' ' ' GLY . 37.7 p -126.81 -37.0 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -170.22 141.41 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.864 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -69.06 -173.69 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 74.25 110.932 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.6 m -98.0 38.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 62.44 111.167 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -73.65 -23.9 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 m -113.64 -21.91 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.44 -26.3 41.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 63.12 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.74 -25.84 66.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 70.12 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -53.0 -29.11 27.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.893 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 ttt -52.67 -29.39 26.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -56.18 -25.4 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 43' ' ' THR . 19.8 mt-30 -54.48 -33.76 60.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 54.35 110.914 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.55 67.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 53.04 111.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.39 -44.63 28.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.02 -30.16 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 71.51 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 39' ' ' GLN . 11.2 t -99.72 30.93 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.058 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -102.86 0.06 32.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 172.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 60.54 110.908 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -142.75 178.05 7.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 71.33 110.891 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.12 -41.91 81.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 72.15 110.918 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -32.59 69.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 72.34 110.801 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.741 HG11 ' HE1' ' A' ' 67' ' ' MET . 84.3 t -57.28 -29.18 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.9 -21.32 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.888 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -71.01 -37.05 72.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 56' ' ' THR . . . -63.1 -41.97 99.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 40.41 111.076 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.98 -23.65 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.64 -52.39 65.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.697 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.49 -32.27 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 74.14 110.867 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 66' ' ' THR . 9.4 p -74.26 -31.33 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 54.23 111.118 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -68.07 -35.83 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.868 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.31 -36.03 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.829 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.1 mt -87.79 6.57 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.898 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 65.43 75.88 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 96' ' ' ILE . 22.3 mt -137.37 131.02 17.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.65 0.738 . . . . 70.01 111.083 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 139.72 40.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.47 -10.74 54.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.08 -31.75 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.926 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -99.57 -25.11 14.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.808 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 56' ' ' THR . 87.7 m -74.99 -30.41 61.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.741 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.69 -58.98 7.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 73.43 110.882 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.78 -15.15 36.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 2.233 . . . . 74.41 112.316 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 65' ' ' LYS . 41.7 t -80.81 -50.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.182 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.635 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.3 pp -69.28 -39.6 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.4 ppp? -68.67 -23.21 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.9 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -65.4 -30.56 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 mt -83.49 -43.08 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.933 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -71.26 -23.87 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.909 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.86 -52.54 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -77.28 -39.26 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.39 -12.47 60.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 61.33 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 -9.51 71.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 73.01 112.515 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.02 50.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.15 112.481 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.35 101.98 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 72.13 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -72.58 -27.84 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 t -55.89 -44.09 77.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.31 110.839 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.06 -37.89 17.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 75.52 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.547 HD13 ' HG ' ' A' ' 74' ' ' LEU . 90.9 mt -65.99 -26.0 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.52 111.113 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -0.64 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.949 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.09 -31.51 13.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -119.35 26.64 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.811 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.95 40.96 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.911 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.685 ' CB ' HD23 ' A' ' 92' ' ' LEU . 12.8 m-85 63.43 37.62 10.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -51.5 -33.33 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.33 -35.94 40.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.076 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.697 HD21 ' CG ' ' A' ' 55' ' ' ARG . 1.2 pp -66.56 -33.97 76.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -65.1 -49.08 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.17 -30.06 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.3 -57.39 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 63.54 111.127 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 61' ' ' ILE . 41.0 mm -58.41 -36.32 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.16 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 t -76.43 -54.93 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.88 -54.9 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 62.23 111.112 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -50.91 -31.01 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.941 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -53.24 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.868 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -125.69 122.42 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.952 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -115.89 -22.25 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.42 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 -6.07 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.936 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 54.36 92.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.883 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 m -159.01 -175.85 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 62.54 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -116.29 85.08 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 60.12 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.17 -98.75 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 41.11 112.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 45.41 110.832 -179.743 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mtp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.863 0.363 . . . . 73.34 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.39 111.86 0.46 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.707 -0.758 . . . . 55.13 112.488 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -132.37 108.96 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 44.33 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 t -154.19 149.3 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -81.51 112.29 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.891 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -118.38 126.34 51.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -109.29 149.72 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -128.93 135.28 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.835 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -105.09 176.86 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -125.73 149.12 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -106.97 149.96 26.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 51.4 110.822 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -128.65 141.27 51.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.21 109.95 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.446 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' C ' HG13 ' A' ' 15' ' ' VAL . 16.9 tp -113.77 -60.23 1.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.819 0.343 . . . . 70.4 110.96 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG13 ' C ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER 57.17 160.7 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.703 0.763 . . . . 64.11 111.065 179.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 113.54 3.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.24 . . . . 73.52 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -104.03 -74.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.851 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.79 143.09 11.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.15 112.492 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 m -94.05 -36.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 71.21 110.854 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.59 177.63 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.72 148.26 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 63.24 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -134.81 154.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 62.24 111.164 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 m -53.26 -28.5 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.867 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.54 -27.72 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.891 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.7 p -135.11 129.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.63 86.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 45.32 112.527 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 tp -116.44 -16.8 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 75.42 110.847 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 p -101.47 165.77 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.41 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -106.38 -170.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 72.04 110.93 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 m -111.73 177.83 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.41 110.848 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.81 45.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.527 . . . . 70.31 111.125 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.97 -25.13 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 t -116.03 -23.53 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 61.24 110.859 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.79 -23.31 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.881 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.69 15.5 14.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -77.74 -25.97 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.861 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.14 -43.66 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -54.19 -35.4 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.66 ' O ' HG22 ' A' ' 43' ' ' THR . 69.6 mt-30 -58.24 -23.15 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -19.78 60.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 51.04 111.098 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.3 mmm -85.33 -43.66 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.848 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.46 -26.27 63.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.956 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.9 t -97.56 36.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.178 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.45 118.17 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.903 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 152.23 28.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.88 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.724 ' HB2' HG23 ' A' ' 49' ' ' VAL . 14.3 m-20 -150.3 166.35 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.825 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -61.72 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -32.51 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.931 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 46' ' ' ASP . 88.6 t -56.67 -27.45 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.12 111.097 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.98 -21.28 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.888 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -74.88 -37.17 62.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.43 98.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.35 111.079 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.58 -20.4 55.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 55.23 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -41.78 87.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.13 -33.19 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.778 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.19 -47.61 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.157 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.36 -27.82 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -63.04 -40.65 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.865 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.37 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 73.1 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 64.3 74.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.736 HD13 HG13 ' A' ' 96' ' ' ILE . 23.3 mt -130.04 131.17 23.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 74.23 111.112 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.0 41.81 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.719 2.279 . . . . 73.41 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.82 -10.42 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 54.42 110.81 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.59 -34.0 60.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.912 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.08 -30.76 12.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 52.22 110.861 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.713 ' CG2' HG21 ' A' ' 56' ' ' THR . 90.8 m -70.98 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.155 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.505 ' HE3' HG11 ' A' ' 49' ' ' VAL . 1.4 mmt -50.54 -60.7 4.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.569 0.699 . . . . 71.43 110.878 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.8 -14.17 35.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.752 2.301 . . . . 71.12 112.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.5 t -79.84 -57.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 71.11 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 71' ' ' MET . 4.0 pp -58.79 -44.59 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 62.12 110.91 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.571 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -59.16 -26.26 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.92 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.44 -30.19 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 62.31 110.865 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.9 mt -75.03 -42.49 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.4 mm? -67.07 -23.78 65.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.62 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.71 -31.07 52.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.891 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.81 3.81 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 54.23 111.078 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.49 23.98 29.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 71.25 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.92 38.71 6.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.466 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -115.75 104.03 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.361 . . . . 71.45 110.884 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.41 ' CE2' HD11 ' A' ' 74' ' ' LEU . 69.8 m95 -79.6 -22.31 43.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.99 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -52.44 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.35 110.837 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.41 -41.86 38.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.8 mt -59.06 -26.31 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.13 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.36 8.07 44.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.947 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.51 -17.27 59.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.874 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.0 26.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 110.876 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.76 39.78 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.955 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.707 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.6 m-85 61.32 40.5 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.917 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -51.47 -33.04 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 65.02 111.15 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -51.65 -35.8 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.21 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.97 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.146 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.51 -29.74 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.916 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -56.96 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.103 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.736 HG13 HD13 ' A' ' 61' ' ' ILE . 43.3 mm -59.77 -37.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.18 -33.82 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -76.5 -54.98 5.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.093 -0.503 . . . . 61.14 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.71 -53.55 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.189 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -50.96 -31.4 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 55.43 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.23 163.76 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 62.35 110.814 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 51.64 71.89 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 64.33 110.858 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.83 -25.22 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -11.48 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 62.12 110.909 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.06 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 63.44 110.883 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -52.45 -41.71 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.841 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -128.54 151.2 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -170.01 -59.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 74.25 112.5 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 65.22 110.853 -179.708 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 73.43 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.58 73.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 45.25 112.438 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -69.64 117.76 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 34.32 110.88 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.0 p -97.28 135.17 39.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.785 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.15 115.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 54.55 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -141.21 -178.45 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 63.03 110.866 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -167.33 153.41 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -139.25 138.33 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 65.11 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -156.71 145.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -134.25 157.62 45.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.842 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -170.98 151.72 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.54 110.887 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 p -149.8 132.92 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 62.14 110.858 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.85 -176.44 14.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 64.45 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -118.79 -175.06 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 72.35 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.75 156.21 73.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 65.45 111.113 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -171.27 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.631 2.22 . . . . 70.51 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 172.45 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.931 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.65 166.3 50.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 34.54 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -112.27 168.84 9.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 45.13 110.801 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.13 172.99 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 64.31 110.868 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -124.89 90.84 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.32 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 tp -71.55 141.34 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.169 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.6 p -81.38 57.83 3.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 55.12 110.799 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -63.16 1.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 70.4 110.939 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -75.41 178.15 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.823 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.21 -171.29 42.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 75.52 112.481 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -158.15 162.7 37.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 75.52 110.931 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -55.47 175.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 71.31 111.072 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -52.35 111.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.4 t -115.02 155.35 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 73.01 110.843 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.8 m 36.99 43.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 55.54 111.216 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.11 -17.17 35.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -114.22 -20.68 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.55 -28.86 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.01 15.39 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 42.41 110.911 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.07 -27.99 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.933 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 ttm -76.8 -25.7 53.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -72.99 -20.68 60.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.896 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -51.89 -57.55 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.54 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 61.2 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.4 -25.35 50.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 38' ' ' GLN . 3.3 mm? -78.2 -9.02 59.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 75.22 110.945 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -67.89 0.93 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.19 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.0 t30 53.25 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.944 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.16 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 53.12 110.909 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.29 164.19 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.925 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.84 -47.19 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 60.32 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.581 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -56.93 -31.63 65.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.898 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.613 HG13 ' CD1' ' A' ' 70' ' ' LEU . 51.7 t -57.06 -32.16 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.44 111.086 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.873 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -51.53 -31.44 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.862 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.25 -38.35 68.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.05 111.088 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' OD2' ' A' ' 63' ' ' ASP . 42.5 mt -60.14 -20.02 56.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.958 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.87 -43.0 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.935 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.755 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.2 tpt180 -77.59 -32.84 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 62.02 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 66' ' ' THR . 17.4 p -72.17 -46.33 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 50.13 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.33 -27.1 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.21 -40.24 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.958 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.66 14.07 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.915 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.72 73.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.32 110.824 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 96' ' ' ILE . 38.6 mt -132.0 130.85 22.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 61.12 111.145 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.99 39.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 52.22 112.353 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD2' HD22 ' A' ' 53' ' ' LEU . 17.6 m-20 -67.71 -10.3 51.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 74.52 110.787 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.1 -38.19 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.862 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -91.42 -28.94 17.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.883 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 56' ' ' THR . 98.1 m -73.8 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.139 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.1 -59.32 7.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.677 . . . . 65.03 110.887 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.72 -13.07 34.25 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 70.04 112.303 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.9 t -80.8 -57.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 52.33 111.125 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.613 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.85 -43.38 85.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.851 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -59.57 -23.64 63.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.898 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -29.98 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.2 mt -74.72 -51.36 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.01 110.98 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.779 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.75 -24.17 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.23 -53.66 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 71.51 110.922 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.0 -30.39 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.868 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.91 4.02 31.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.106 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.57 23.1 34.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 73.41 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.779 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 90.38 39.84 5.89 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.81 -0.71 . . . . 73.32 112.516 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.78 105.58 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 70.22 110.88 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.1 m95 -82.18 -20.28 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.939 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.864 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.37 -42.82 24.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.556 HD12 HD13 ' A' ' 74' ' ' LEU . 92.3 mt -57.81 -27.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 51.53 111.103 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.26 -0.87 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.835 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.4 tt -56.14 -23.88 37.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.903 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.76 25.17 7.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.863 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.68 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.864 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.715 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.3 m-85 61.15 40.53 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -51.62 -33.57 33.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.507 . . . . 62.4 111.16 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.46 -35.97 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.079 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.755 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.4 -34.52 77.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.64 -49.47 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.191 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.85 -29.89 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 63.55 110.904 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.773 HG13 HD13 ' A' ' 61' ' ' ILE . 42.7 mm -59.46 -38.93 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.166 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.57 -33.18 72.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.93 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -76.36 -54.88 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.83 -54.37 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.123 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -50.91 -30.93 16.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.76 -74.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.843 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -92.2 134.59 34.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 73.44 110.922 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -131.88 -41.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.86 -27.36 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -65.87 -176.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.1 153.49 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.836 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -79.1 -48.46 14.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 55.1 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -131.37 -122.12 2.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 64.13 112.504 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 65.15 110.872 -179.79 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 64.35 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.34 -123.02 2.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 70.42 112.466 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -88.46 -176.56 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 74.54 110.834 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 p -74.93 178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 61.14 110.852 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.21 178.39 4.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 71.34 110.816 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -141.26 176.76 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.884 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -98.36 -177.52 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 63.2 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -149.65 158.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.858 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -101.68 -179.58 4.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.877 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -120.02 -178.75 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.896 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -138.45 -174.9 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 74.33 110.815 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 p -153.07 124.78 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.892 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.614 ' C ' HD13 ' A' ' 14' ' ' LEU . . . -106.59 -135.38 7.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 70.33 112.476 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -156.37 174.44 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 71.32 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -149.17 156.16 40.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.724 . . . . 75.32 111.168 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.17 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 74.14 112.309 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 137.13 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.64 102.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.33 112.521 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -133.14 110.6 10.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 54.34 110.876 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -79.54 157.65 27.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.863 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.5 mtm -135.12 88.07 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 61.5 110.869 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 tp -121.07 143.41 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 72.33 111.167 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.6 m -52.14 -59.68 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 tp 60.45 33.46 20.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.942 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.4 p -170.21 173.29 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.927 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.42 69.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 73.51 112.526 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.0 pt? -126.85 13.65 7.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.926 0.393 . . . . 71.25 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -147.17 -179.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.067 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -77.16 175.71 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.869 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 21.7 m -157.97 157.98 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.861 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 27.1 m 36.92 44.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 55.03 111.063 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -26.54 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.914 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -116.25 -25.12 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.847 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.98 -25.74 45.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 65.45 110.835 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 31' ' ' VAL . 2.3 mm? -64.3 -25.93 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.929 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.26 -28.2 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.822 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 ttt -80.98 -32.44 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.816 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -57.87 -23.57 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.937 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 24.9 mm-40 -53.99 -36.8 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.79 68.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 53.13 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.7 mmt -79.33 -44.86 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.07 -29.02 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.17 25.54 4.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.103 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -87.22 96.78 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 52.24 110.859 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -99.95 140.65 33.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 65.33 110.925 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.94 158.27 44.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.33 110.842 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.73 -45.39 94.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.799 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.09 -30.72 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.93 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.799 HG23 ' HD2' ' A' ' 48' ' ' LYS . 5.9 t -68.28 -40.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 61.13 111.093 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.3 mt -52.71 -33.63 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.23 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -51.16 -32.95 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.15 110.924 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.37 -41.42 66.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.052 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.63 -20.28 54.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.275 -0.42 . . . . 64.34 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.69 -42.44 91.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.944 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.753 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.3 tpt180 -77.13 -33.02 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 64.23 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 66' ' ' THR . 21.1 p -73.48 -46.92 45.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 51.33 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -55.89 -27.36 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 63.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -64.58 -40.15 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.1 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.53 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 64.18 73.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.886 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -129.65 131.3 23.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 64.54 111.218 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 138.84 38.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 72.33 112.346 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.62 -10.31 50.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.819 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.65 -32.52 60.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.877 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.18 -30.77 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.86 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 56' ' ' THR . 97.0 m -73.47 -30.79 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.14 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.506 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -51.62 -59.6 7.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 73.43 110.913 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.73 -15.21 37.08 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 73.44 112.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 65' ' ' LYS . 23.7 t -81.5 -49.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.41 111.129 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' A' ' 49' ' ' VAL . 2.6 pp -64.94 -40.05 94.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.909 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 16.9 ptt? -61.44 -25.04 66.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 64.51 110.871 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -30.88 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 74.1 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.5 mt -70.38 -46.15 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.872 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.677 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -72.02 -22.47 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.33 110.924 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.4 -54.02 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.867 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.39 -36.4 45.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.48 -17.95 60.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 70.44 111.157 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.75 11.0 82.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 21.31 112.48 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.677 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 97.27 39.34 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 71.14 112.536 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.32 108.43 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 74.32 110.904 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.494 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.7 m95 -85.18 -20.49 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.929 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.0 t -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -86.64 -45.73 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.12 110.944 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 73' ' ' LEU . 95.7 mt -58.0 -25.21 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 75.31 111.094 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.39 1.55 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.93 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.0 tt -62.47 -16.95 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -130.94 26.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.819 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 65.89 42.45 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.915 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.72 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 60.18 41.3 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.939 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -52.78 -30.97 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 53.4 111.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.85 -36.44 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.07 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.753 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.69 -33.59 75.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.52 111.0 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.85 -49.43 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.24 111.134 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -74.65 -29.99 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.35 110.888 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.35 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 61.54 111.067 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 69' ' ' VAL . 37.8 mm -58.48 -37.74 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.152 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.916 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -77.17 -55.03 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.59 -47.01 89.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -60.38 -18.89 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -89.63 -13.82 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.01 88.83 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.941 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -122.76 -16.4 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 73.42 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -55.15 -22.35 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.925 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -66.01 -13.74 60.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.89 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.9 t -142.19 162.98 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.887 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.27 -42.46 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 75.13 110.856 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -166.98 -143.63 3.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 32.35 112.502 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 72.44 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.89 0.376 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 71.43 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -114.14 142.29 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 75.01 110.83 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -144.32 122.77 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.811 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -71.23 175.67 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 72.31 110.828 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -77.69 119.15 20.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.86 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -99.77 118.99 37.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 63.15 110.931 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -103.79 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -153.45 143.48 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.882 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -106.04 160.62 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.867 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 p -122.43 -53.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.842 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.3 p -74.38 147.74 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 63.14 110.809 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.86 152.37 20.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 31.2 112.528 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -142.05 164.08 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 72.25 110.917 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.86 156.22 79.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 63.34 111.157 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 174.13 10.01 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 51.13 112.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -105.24 155.39 19.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 73.5 110.932 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.29 109.57 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.723 . . . . 73.1 112.471 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -142.64 123.48 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 73.31 110.836 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -90.6 78.13 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.44 110.786 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mmm -115.19 -56.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.86 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 22' ' ' ILE . 8.0 tp -109.55 16.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.13 111.213 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t 56.18 34.12 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.79 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -123.41 174.76 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.817 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.36 -68.47 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 74.54 112.503 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.8 -9.65 58.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 63.32 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.9 p -62.19 138.11 58.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.107 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -178.97 140.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.897 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 m -160.45 179.18 8.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 54.52 110.772 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 36.97 44.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 65.33 111.096 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.44 -23.82 53.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -116.0 -23.74 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.905 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -57.89 -27.2 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 64.11 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.9 15.48 14.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.74 -26.0 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.8 ttp -61.04 -27.25 68.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.0 -26.25 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 70.31 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 43' ' ' THR . 77.3 mt-30 -60.35 -24.09 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.38 67.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 70.45 111.067 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.49 -45.4 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.885 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.16 -21.0 64.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 65.03 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -114.72 44.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 72.02 111.136 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -51.94 114.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.5 110.844 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 141.24 50.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 53.21 110.88 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.99 172.1 15.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.2 110.9 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.78 -41.98 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 55.2 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -68.07 -30.81 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 71.05 110.869 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 70' ' ' LEU . 55.4 t -60.11 -38.65 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 63.2 111.157 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.8 mt -55.04 -32.38 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 33.24 110.889 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -50.88 -32.77 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.862 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.24 -45.35 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 64.34 111.18 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -56.84 -23.36 43.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 62.2 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -59.45 -48.17 82.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 61.24 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.87 -32.96 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 70.33 110.948 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 66' ' ' THR . 5.7 p -71.13 -38.69 72.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.34 111.158 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -54.45 -36.92 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -64.81 -33.19 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.551 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -91.52 4.06 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.921 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.91 73.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.05 110.905 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HG13 ' A' ' 96' ' ' ILE . 14.8 mt -132.39 129.83 21.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 64.3 111.121 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 136.05 32.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 74.04 112.323 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -17.75 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.905 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.12 -44.33 84.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 41.11 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 69' ' ' VAL . 12.4 ptmt -88.88 -28.34 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.934 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' THR . 88.7 m -74.54 -30.32 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.108 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.525 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -49.89 -59.31 7.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 71.22 110.814 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.74 -13.65 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 74.33 112.337 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.7 t -80.99 -56.28 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -61.3 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.92 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.11 -23.48 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.42 110.914 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HE2' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -72.78 -30.3 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.51 110.923 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' HE2' ' A' ' 72' ' ' LYS . 6.8 mt -71.8 -46.71 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.926 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.89 -23.91 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.24 110.956 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -54.03 51.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.52 -30.83 53.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.98 4.38 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 72.14 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.54 28.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 72.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.53 39.39 6.31 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.733 -0.746 . . . . 61.0 112.561 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.82 106.42 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 74.22 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.57 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 66.1 m95 -82.37 -20.3 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -52.8 -52.14 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.31 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -77.55 -42.43 35.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.914 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 74' ' ' LEU . 94.7 mt -58.41 -26.85 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.22 111.164 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.43 6.37 48.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 50.41 110.916 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.7 tt -63.19 -16.13 59.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 45.45 110.972 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.07 27.36 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 65.6 41.64 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.907 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.4 m-30 60.12 40.99 17.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 64.41 110.965 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.4 m -51.33 -33.52 29.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 54.14 111.203 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.47 -36.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.32 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -66.61 -34.05 77.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.927 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.72 -48.99 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.085 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -74.38 -30.14 61.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.67 -56.82 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.139 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.8 HG13 HD13 ' A' ' 61' ' ' ILE . 38.4 mm -61.72 -35.75 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.14 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.7 -33.73 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -76.07 -54.74 6.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 42.25 110.826 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.03 -56.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -51.11 -31.04 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 65.2 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -91.91 162.87 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.863 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 51.61 78.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -106.57 -22.88 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.896 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -18.01 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 63.2 60.33 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 64.23 110.917 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 t -93.28 75.93 4.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.876 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -110.39 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.42 110.856 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.59 65.64 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.52 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 62.0 110.843 -179.687 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.36 . . . . 53.2 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.97 33.44 4.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 34.51 112.464 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -62.69 133.72 55.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.915 0.388 . . . . 71.05 110.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -153.12 171.76 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 74.43 110.839 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -136.51 112.54 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.907 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -84.14 152.47 24.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -147.21 143.28 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -152.56 163.63 39.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 73.2 110.897 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -74.15 159.29 32.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 70.02 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -122.73 102.75 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 p -99.47 81.86 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 54.14 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -138.59 122.9 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 64.21 110.835 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.46 6.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.835 -0.698 . . . . 64.55 112.493 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' C ' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -131.17 27.09 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 73.22 110.925 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG13 ' C ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER 57.2 160.56 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 75.24 111.116 179.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.619 2.212 . . . . 61.1 112.392 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.02 168.26 20.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.882 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.05 54.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 63.13 112.541 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -152.86 158.4 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 74.01 110.867 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -147.2 150.15 34.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.9 mtt -108.36 42.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.18 140.24 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.081 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -52.07 -48.57 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 tp 57.65 48.39 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.42 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 t -52.13 115.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.16 158.69 25.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 53.53 112.499 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -78.96 -16.74 56.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 62.24 110.921 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.93 157.11 45.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.12 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -50.77 155.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.895 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 t -138.98 94.87 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.901 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.55 33.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 65.42 111.114 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -75.08 -24.99 58.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -116.02 -24.59 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.512 . . . . 74.11 110.864 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.98 -26.16 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 74.32 110.825 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -25.19 35.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.436 . . . . 71.21 110.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.92 -40.5 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.875 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.41 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -74.78 -45.43 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 43' ' ' THR . 9.3 pt20 -66.69 -31.65 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.81 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.066 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 mmm -81.91 -41.22 21.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 65.54 110.843 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.67 -25.08 61.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.945 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.2 t -100.64 36.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.155 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.81 116.87 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -76.65 141.69 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 73.22 110.951 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.63 ' HB2' HG23 ' A' ' 49' ' ' VAL . 34.8 m-20 -141.32 168.83 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.83 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -64.32 -53.45 48.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.923 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -32.7 58.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.886 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 46' ' ' ASP . 87.7 t -60.85 -30.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 53.43 111.127 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.03 -22.34 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 54.15 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.91 -38.7 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.915 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -64.25 -43.9 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 62.4 111.073 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.09 -22.86 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.956 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.69 -42.26 91.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.11 110.848 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.741 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.21 -32.65 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.905 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 92' ' ' LEU . 17.8 p -73.77 -46.67 44.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 73.01 111.161 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -54.82 -26.82 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.43 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -63.57 -40.58 97.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 72.42 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.55 16.4 12.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.73 74.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.903 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 96' ' ' ILE . 16.0 mt -135.12 118.45 13.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 52.22 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.41 32.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 63.41 112.388 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -20.0 28.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 54.22 110.838 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.52 -31.6 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.9 ptmt -104.26 -28.49 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 71.11 110.934 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.587 HG21 HG21 ' A' ' 56' ' ' THR . 69.7 m -73.74 -30.49 62.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.186 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.621 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -50.03 -59.59 6.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 74.33 110.884 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.5 Cg_endo -69.7 -14.43 36.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 74.21 112.408 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.8 t -81.14 -57.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 65.14 111.117 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -58.21 -43.19 87.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.034 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.432 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.4 ptt? -60.08 -23.34 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.913 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.77 -30.54 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.14 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.7 mt -74.13 -50.35 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 63.34 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.755 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.7 mm? -61.47 -24.05 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.965 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -53.91 52.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.859 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -77.27 -30.38 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.3 31.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 51.14 111.083 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.73 31.04 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.755 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.71 39.13 6.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 43.21 112.494 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.66 105.04 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.335 . . . . 75.44 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.548 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.5 m95 -81.06 -21.75 39.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.942 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 t -51.79 -51.95 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.867 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.25 -42.57 36.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 75.54 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 74' ' ' LEU . 94.0 mt -58.6 -25.16 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.33 111.173 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 6.72 47.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.887 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.27 -17.28 58.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -133.93 27.42 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.833 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 40.97 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.9 m-85 61.1 40.36 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 64.32 110.935 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -51.67 -33.39 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.37 -36.68 44.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.13 111.088 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.741 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.02 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.41 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.17 -49.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.152 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.44 -29.94 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.853 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.89 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.775 HG13 HD13 ' A' ' 61' ' ' ILE . 43.9 mm -60.83 -35.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.41 111.136 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.21 -34.75 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -76.26 -54.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.865 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.36 -54.29 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 61.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.22 -31.39 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.903 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.84 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 51.62 80.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -102.46 -26.17 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.42 110.84 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -26.29 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -85.94 54.49 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -179.02 160.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.04 110.823 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -122.48 139.99 53.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.14 160.09 22.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.649 -0.786 . . . . 44.03 112.445 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 63.1 110.859 -179.719 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.849 0.356 . . . . 74.31 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.1 143.99 9.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.506 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -129.26 116.91 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 72.52 110.894 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.1 t -58.98 131.66 51.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.867 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -95.07 88.21 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 73.02 110.879 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -164.29 145.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 61.2 110.84 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -161.31 144.88 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.808 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -61.75 142.09 57.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -132.77 143.7 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -148.07 144.72 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.936 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.2 p -84.5 157.76 21.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 53.32 110.845 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -108.63 72.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.086 -0.506 . . . . 23.35 110.83 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.485 ' C ' HD12 ' A' ' 14' ' ' LEU . . . -159.43 62.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.668 -0.777 . . . . 55.15 112.463 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 13' ' ' GLY . 7.3 mp -129.53 55.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 63.14 110.932 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.85 156.27 45.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 73.11 111.076 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 111.34 2.8 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.662 2.241 . . . . 63.14 112.387 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.8 146.37 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.845 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.28 98.31 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 63.41 112.451 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 161.91 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 71.44 110.851 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.94 172.18 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.852 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.2 ptp -173.6 146.61 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.815 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.534 HD13 ' H ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -112.24 139.53 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 43.35 111.124 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.534 ' H ' HD13 ' A' ' 22' ' ' ILE . 4.8 m -51.23 -48.53 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.03 110.863 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 22' ' ' ILE . 2.7 mt -87.52 45.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 62.33 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.8 82.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.874 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.61 154.04 0.19 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.774 -0.727 . . . . 43.3 112.521 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 28' ' ' THR . 2.0 pt? -128.23 132.69 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 64.41 110.864 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 176.74 160.82 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 61.41 111.192 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -65.07 179.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.867 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.7 t -127.52 174.31 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.4 110.875 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.12 43.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.098 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -77.57 -22.97 50.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -115.9 -24.22 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 61.4 110.845 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.49 -26.18 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.34 110.94 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -90.0 -25.81 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 52.15 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.67 -34.43 73.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.24 110.864 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -26.76 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.849 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.82 -28.05 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 43' ' ' THR . 2.4 pt20 -60.02 -32.75 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.5 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.05 111.094 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.8 mtp -81.19 -28.97 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.6 6.49 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -139.59 48.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.13 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -51.75 112.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 65.22 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 174.66 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' HB2' HG23 ' A' ' 49' ' ' VAL . 1.3 m-20 -129.19 -178.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 63.41 110.881 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.3 -42.03 72.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.806 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.904 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.686 HG13 ' CD1' ' A' ' 70' ' ' LEU . 93.1 t -59.25 -27.84 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.089 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.33 -25.98 65.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.15 -40.3 90.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.896 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.88 -42.8 99.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 53.42 111.107 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.89 -21.41 57.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 60.45 110.895 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.82 -38.82 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.35 110.853 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG3' HD21 ' A' ' 92' ' ' LEU . 5.7 tpt180 -77.56 -34.43 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.936 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 66' ' ' THR . 13.3 p -74.89 -44.69 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.24 111.172 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.29 -26.77 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.13 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -65.14 -39.68 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 12.5 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 60.23 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.08 75.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.867 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.644 HD13 HG13 ' A' ' 96' ' ' ILE . 37.6 mt -130.42 131.28 23.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 74.24 111.163 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.25 32.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.744 2.296 . . . . 72.41 112.316 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -67.82 -9.9 48.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 65.13 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.81 -23.96 55.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -108.79 -25.24 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.904 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 56' ' ' THR . 11.9 m -75.98 -37.19 58.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.559 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.9 mmm -49.08 -56.74 14.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 64.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.81 -15.48 36.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 74.11 112.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.1 t -81.52 -56.01 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 74.2 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.686 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.06 -44.44 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.4 ppp? -60.39 -23.39 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.822 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -30.17 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.4 mt -75.28 -51.28 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.9 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -57.84 -24.07 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.887 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -53.8 53.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.826 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -77.47 -29.58 52.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.2 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.53 3.88 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 65.3 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.76 19.93 37.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 92.25 40.51 5.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 73.13 112.485 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.55 103.57 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 73.33 110.906 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.608 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 64.9 m95 -81.54 -21.78 38.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -51.24 -50.64 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 61.11 110.875 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.03 -43.21 24.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 74' ' ' LEU . 88.9 mt -58.25 -24.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.32 111.197 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.3 -2.41 39.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.925 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 86' ' ' LEU . 10.4 tt -53.01 -27.54 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.42 110.943 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.73 24.33 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.813 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.14 40.7 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.883 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.726 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.43 40.33 14.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.933 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -51.76 -30.5 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.45 111.132 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.77 -36.82 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 61.31 111.098 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.726 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -65.68 -33.77 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.884 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.64 -49.65 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 73.22 111.089 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.02 -29.74 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.47 -57.19 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 44.13 111.073 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.644 HG13 HD13 ' A' ' 61' ' ' ILE . 39.6 mm -58.86 -38.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.172 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.42 -33.45 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.966 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 t -76.52 -55.09 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.43 110.799 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.02 -53.58 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.081 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -51.11 -31.14 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.862 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.32 -58.54 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.9 118.53 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.954 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.0 -25.11 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -19.9 63.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.879 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -51.66 164.53 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 73.52 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 p -85.39 115.96 23.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.838 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.29 -174.24 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.23 -89.77 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 71.21 112.485 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 63.01 110.934 -179.763 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 71.32 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.47 153.21 17.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 64.32 112.452 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 p -93.62 73.69 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 74.31 110.877 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -166.49 158.35 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.855 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -93.97 110.36 22.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.891 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -88.75 -26.26 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.829 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -52.81 -43.82 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 74.04 110.819 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.29 144.32 56.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.861 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -142.44 -176.23 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.906 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -88.81 141.52 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.908 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -117.46 99.68 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 64.02 110.86 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -76.34 155.51 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.12 110.849 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.82 148.46 51.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.725 . . . . 60.2 112.489 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.14 176.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 72.45 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.8 156.22 62.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.711 . . . . 73.54 111.091 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.88 26.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 62.51 112.332 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -26.76 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.862 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.83 -150.27 35.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 71.43 112.489 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -131.9 131.74 42.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 74.51 110.841 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -91.63 141.65 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.14 110.871 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mtp -104.1 122.09 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.907 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 tt -150.46 142.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.143 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -77.8 61.69 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.881 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.72 -43.76 69.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.958 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.8 m -56.3 151.02 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 64.03 110.814 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.19 153.93 22.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 33.13 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.74 -16.83 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 71.33 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 p -101.44 -175.94 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -76.88 142.28 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 54.13 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' VAL . 58.0 m -155.23 174.18 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.824 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.89 44.22 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 64.14 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -67.5 -29.84 69.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 62.53 110.973 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -137.54 18.46 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.87 -30.87 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.3 110.881 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -24.81 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.9 -30.18 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -35.0 33.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.92 -26.02 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 53.41 110.95 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 20.4 mm-40 -54.65 -34.07 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.909 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HG22 ' A' ' 43' ' ' THR . . . -63.45 -25.14 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.135 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.3 mtp -81.51 -43.92 18.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.72 -26.46 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 62.54 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.41 24.19 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 60.01 111.19 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.87 101.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 61.33 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.907 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -140.87 167.74 21.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -65.71 -53.79 36.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.849 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.811 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -51.58 -30.41 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.914 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.811 HG23 ' HD2' ' A' ' 48' ' ' LYS . 19.0 t -68.31 -37.27 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.111 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.61 -34.06 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.12 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -50.76 -34.78 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.911 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.629 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.4 -37.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.41 111.12 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.41 -21.37 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.934 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HG3' HD21 ' A' ' 92' ' ' LEU . 6.2 tpt180 -78.05 -32.97 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.831 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 66' ' ' THR . 7.9 p -74.73 -43.72 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.149 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -54.24 -26.02 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.28 -37.63 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.879 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.56 15.06 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 65.41 75.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.9 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 96' ' ' ILE . 16.8 mt -135.02 118.47 13.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 63.31 111.182 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 135.05 29.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 73.04 112.367 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.44 -20.06 27.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.87 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.08 -28.27 68.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.808 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.8 ptmt -109.49 -26.07 10.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 56' ' ' THR . 9.6 m -76.41 -34.36 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.18 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.554 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 10.8 mmm -49.29 -57.15 12.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.499 0.666 . . . . 65.44 110.848 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.1 Cg_endo -69.72 -15.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 73.4 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.7 t -81.53 -56.0 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.22 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.647 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.21 -44.61 97.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.937 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.6 ppp? -60.25 -23.48 64.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -71.87 -30.28 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.0 mt -76.09 -51.43 12.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.14 110.881 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.752 HD12 ' HA2' ' A' ' 79' ' ' GLY . 4.0 mm? -57.81 -24.2 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 64.25 110.916 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.11 -53.77 54.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.898 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.28 -29.53 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 3.84 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.063 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.49 20.74 39.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 71.15 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.752 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 91.69 40.63 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 43.4 112.439 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.6 103.59 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 73.41 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.629 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.0 m95 -81.68 -20.79 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -51.52 -50.7 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.35 110.905 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.56 -43.02 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 64.43 110.912 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 74' ' ' LEU . 88.6 mt -58.19 -24.5 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 50.34 111.18 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -0.4 42.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 63.51 110.894 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.61 -25.79 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.938 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.92 24.59 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.44 40.58 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.8 m-85 61.38 40.27 14.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.897 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -51.54 -30.4 20.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 73.35 111.194 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.57 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.1 pp -65.78 -34.06 77.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.917 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 t -64.13 -50.0 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.33 111.179 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.97 -29.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 64.22 110.888 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.19 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 51.13 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 61' ' ' ILE . 42.6 mm -60.98 -34.87 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 64.1 111.115 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.3 -34.65 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 72.12 110.963 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -76.25 -54.7 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.69 -55.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.088 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -50.91 -31.19 16.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.45 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.74 157.1 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 63.14 110.946 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 51.68 83.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 43.31 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.44 -25.25 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.32 110.905 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -35.34 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.07 26.35 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 63.03 110.934 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -83.33 -50.41 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 52.5 110.84 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -117.93 60.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.851 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.68 126.37 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 63.12 112.435 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 63.22 110.897 -179.793 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.838 0.351 . . . . 63.3 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.01 45.03 53.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.638 -0.792 . . . . 73.12 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -128.9 109.12 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 63.21 110.894 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -166.42 154.63 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.822 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -65.23 114.06 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 62.34 110.881 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -127.93 67.88 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.872 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -119.85 106.69 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.44 -65.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.83 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.46 155.57 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 63.53 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -71.0 154.74 41.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.812 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -124.82 148.9 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 60.33 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -105.02 -40.35 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 51.03 110.844 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.42 154.53 28.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 72.51 112.447 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -157.68 122.2 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 65.33 110.972 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 14' ' ' LEU . 3.3 m -119.76 156.15 54.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 71.21 111.179 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 107.88 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 73.24 112.306 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -63.63 104.87 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.929 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.08 -172.36 18.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 51.25 112.472 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -170.1 127.38 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 72.1 110.851 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -101.61 151.13 22.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 44.24 110.874 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.9 tpt -159.65 144.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 54.52 110.871 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.88 137.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.182 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -80.92 58.41 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 64.24 110.879 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.28 -34.85 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.45 110.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -135.01 146.57 49.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 28' ' ' THR . . . -147.02 -115.48 0.88 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.737 -0.744 . . . . 63.54 112.439 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER 41.87 36.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 74.41 110.909 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 26' ' ' GLY . 37.3 p -125.49 -36.02 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.113 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -173.59 174.66 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.823 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.77 -179.66 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 53.43 110.826 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 36.98 43.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 63.05 111.16 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -35.26 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -118.09 -28.09 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.55 110.882 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.18 -26.1 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 73.32 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.81 -31.01 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.22 110.891 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.66 -26.03 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.81 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.84 -31.76 66.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 63.41 110.952 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -63.39 -61.52 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 43' ' ' THR . 31.8 mt-30 -56.87 -25.62 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.845 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -33.46 65.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.151 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.0 mmm -55.01 -52.37 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 61.41 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.39 -26.37 65.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -123.6 66.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 62.42 111.086 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.45 5.33 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.93 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 -177.48 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 64.21 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HB2' HG23 ' A' ' 49' ' ' VAL . 7.2 m-20 -150.24 -179.18 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.855 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.31 -43.35 81.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.905 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -32.8 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.862 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 46' ' ' ASP . 94.6 t -56.14 -33.19 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 51.44 111.148 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.21 -23.06 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.44 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -76.69 -34.24 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.937 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 56' ' ' THR . . . -56.1 -30.72 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.122 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' OD1' ' A' ' 63' ' ' ASP . 64.4 mt -71.07 -19.1 62.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.75 -42.19 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.4 tpt180 -77.68 -33.15 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.89 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' THR . 21.4 p -72.6 -46.9 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.05 111.13 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -55.37 -27.33 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.835 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.43 -40.61 97.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.78 14.59 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.35 74.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -132.75 130.85 21.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 74.31 111.139 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.02 41.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.666 2.244 . . . . 75.14 112.371 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' HD21 ' A' ' 53' ' ' LEU . 12.7 t0 -67.42 -10.96 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.87 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.05 -37.61 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 70.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.2 ptmm? -91.4 -29.09 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 72.11 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 56' ' ' THR . 97.7 m -72.65 -30.5 64.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.173 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.555 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.96 -59.98 5.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 62.43 110.851 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.4 Cg_endo -69.76 -14.47 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 70.03 112.374 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 96' ' ' ILE . 38.6 t -80.76 -56.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.138 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 pp -58.96 -41.2 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.838 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.463 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.2 ppp? -60.5 -25.22 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.837 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.4 mt -70.07 -42.58 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.866 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -74.61 -23.04 58.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 70.22 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -42.26 75.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.852 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.25 -46.01 18.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -18.47 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.52 111.059 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.86 12.21 72.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 63.14 112.449 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 102.9 40.59 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.51 112.43 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.57 103.9 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.4 110.848 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -81.39 -21.27 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.995 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -52.67 -54.58 31.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.847 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.69 -43.69 45.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.871 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.487 HG22 ' HD1' ' A' ' 89' ' ' TYR . 96.6 mt -57.12 -30.55 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 71.21 111.159 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.39 1.58 54.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.902 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 tp -62.86 -16.4 58.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.41 110.983 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.87 26.98 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.883 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 65.91 41.3 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.03 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.2 m-30 60.57 40.8 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -51.58 -29.93 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.141 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.539 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -54.8 -34.47 62.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.35 111.116 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.4 pp -69.59 -35.36 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.874 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.02 -51.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.42 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -74.83 -29.83 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.831 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.48 -57.32 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.121 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 38.2 mm -57.86 -46.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.32 111.138 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.44 -30.64 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 64.55 110.956 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 -54.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.52 110.932 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.6 t -63.26 -53.25 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 75.34 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.76 -31.05 15.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.2 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.92 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 72.04 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.57 121.38 15.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 60.45 110.872 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.26 -29.63 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 72.34 110.827 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -55.39 -26.0 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.96 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.06 49.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 64.53 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -179.43 151.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 70.25 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -88.21 -177.58 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.26 159.02 31.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 61.14 112.459 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 71.34 110.869 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.825 0.345 . . . . 71.23 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.63 135.88 2.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.767 -0.73 . . . . 64.34 112.539 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 150.45 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 24.1 110.842 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -96.67 45.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.893 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -117.03 40.08 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -121.28 -43.07 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.2 110.865 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 54.16 33.38 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -152.09 115.87 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.849 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -97.74 174.08 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -61.75 -37.53 84.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.825 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -65.23 101.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 53.54 110.862 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.2 t -139.23 119.18 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.859 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.52 -157.8 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 64.14 112.452 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 15' ' ' VAL . 3.2 tt -107.6 128.52 54.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 65.54 110.923 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.6 m -51.67 156.0 2.54 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 72.33 111.075 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 168.7 20.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 73.31 112.331 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -132.58 -176.62 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.05 -131.26 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 53.12 112.533 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -112.66 152.74 28.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 73.34 110.793 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -99.96 114.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.839 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 ptm -125.27 42.93 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.891 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.7 tt -71.6 151.67 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.213 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' LEU . 7.7 t -86.05 5.66 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 52.22 110.901 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER 33.1 54.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.875 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -118.2 160.7 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.812 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.76 -170.89 18.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 32.21 112.471 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 pt? -113.96 11.67 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.24 110.912 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 p -72.92 174.87 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.204 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -108.44 -170.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.35 110.863 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' VAL . 79.1 p -96.35 -173.68 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.88 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.07 43.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.13 111.108 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.13 -21.92 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -114.55 -22.59 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.937 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -55.61 -25.97 41.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 61.25 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -79.62 -33.17 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.902 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.82 -24.0 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.863 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm -70.72 -41.05 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.872 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.09 -25.07 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 43' ' ' THR . 16.3 mm-40 -80.94 -23.77 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 61.3 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -23.58 66.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.12 111.053 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtp -75.56 -41.72 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 72.4 110.92 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.26 -13.54 61.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.949 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 39' ' ' GLN . 8.1 t -124.01 50.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 51.12 111.165 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.92 116.62 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 165.83 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 65.45 110.864 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.16 164.94 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 75.01 110.907 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -67.13 -45.33 77.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 60.12 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.773 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -59.44 -30.92 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 61.15 110.905 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.773 HG23 ' HD2' ' A' ' 48' ' ' LYS . 19.6 t -65.26 -34.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 71.1 111.174 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.85 -34.19 58.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.945 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -50.94 -35.15 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.856 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.58 -40.92 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 53.34 111.144 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.43 -20.42 59.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 71.11 110.897 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -65.64 -42.26 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.7 tpt180 -77.15 -32.54 56.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.892 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 66' ' ' THR . 20.9 p -73.95 -45.14 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 63.23 111.156 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -53.97 -25.9 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 74.42 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.08 -37.78 86.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 12.67 26.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 53.35 110.942 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.0 75.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.3 110.85 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 96' ' ' ILE . 39.8 mt -130.32 131.47 23.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 71.41 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 136.39 33.02 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 71.25 112.353 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.81 -9.82 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.89 -23.24 58.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -110.17 -25.41 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.848 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 56' ' ' THR . 10.8 m -76.3 -36.95 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 64.53 111.205 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.562 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.8 mmm -49.07 -56.78 13.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.542 0.687 . . . . 73.3 110.876 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.88 -16.02 36.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 72.15 112.248 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.8 t -81.64 -56.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 62.23 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.618 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -59.29 -44.55 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -58.95 -23.48 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.866 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -29.88 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.74 -48.11 27.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -60.56 -24.37 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 53.02 110.929 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.19 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.908 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.46 -29.44 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.926 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.5 5.1 28.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.147 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.14 23.62 33.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.757 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.06 40.6 6.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 61.35 112.42 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.66 103.7 10.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 71.52 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.636 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 65.9 m95 -81.22 -20.96 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 75.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -52.24 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.828 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.67 -42.57 34.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.907 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 74' ' ' LEU . 91.0 mt -58.44 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 74.52 111.138 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.6 2.57 47.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 65.01 110.935 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.2 25.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.881 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 40.91 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.883 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.5 m-85 61.13 40.28 15.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -51.39 -31.33 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.42 -36.54 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 42.53 111.137 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -65.74 -34.07 77.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 63.33 110.974 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.6 -49.6 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.147 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.88 -29.79 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 -57.0 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 61.42 111.065 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.645 HG13 HD13 ' A' ' 61' ' ' ILE . 39.9 mm -59.43 -37.92 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 63.24 111.144 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.5 -33.61 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.893 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -76.57 -55.0 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.85 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -53.6 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 40.22 111.169 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -51.06 -31.21 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.15 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.61 -57.04 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -115.43 111.39 20.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -99.51 -42.8 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 62.35 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 -34.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.881 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.76 119.18 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.012 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -157.48 163.13 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 61.25 110.841 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -131.1 105.43 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 55.13 110.89 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 111.71 67.49 0.53 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 73.52 112.474 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 63.33 110.846 -179.722 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.811 0.339 . . . . 73.13 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.69 128.91 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 72.41 112.454 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -117.65 -177.49 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 63.03 110.833 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -148.09 171.42 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 70.55 110.909 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -149.55 149.98 31.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -130.03 155.14 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.818 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -128.23 169.41 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.816 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -151.52 173.93 14.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 70.41 110.851 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -148.71 132.9 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.861 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -152.31 161.84 42.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.12 110.79 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.1 t -145.0 166.89 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.811 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -132.1 -73.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 64.14 110.859 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.8 -178.58 53.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 65.42 112.527 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -80.58 179.18 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 74.12 110.882 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.36 156.2 77.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 73.13 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.05 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.68 2.253 . . . . 72.2 112.326 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.16 175.16 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.907 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.34 -161.49 24.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.68 -0.771 . . . . 72.12 112.449 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -69.9 -175.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 60.33 110.855 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -111.98 38.76 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.11 110.893 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.0 mtt -92.45 88.57 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -167.32 147.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 55.02 111.154 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.487 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.8 m -74.99 67.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.904 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.81 45.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 64.32 110.891 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 p -53.18 118.24 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 54.11 110.832 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.44 62.06 0.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 72.44 112.484 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 28' ' ' THR . 7.3 tt -143.79 157.06 44.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 62.01 110.894 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.494 ' O ' HD23 ' A' ' 27' ' ' LEU . 33.4 p -54.54 170.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 74.45 111.073 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -63.68 -177.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.771 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.1 t -132.17 -172.26 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 72.5 110.876 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.03 44.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 71.03 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -30.69 71.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 61.42 110.833 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -141.3 20.01 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.882 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -88.81 -32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.882 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.29 -26.19 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.52 -33.69 46.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.891 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -54.91 -30.04 57.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.857 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -61.25 -26.93 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 43' ' ' THR . 17.5 mm-40 -60.69 -24.54 65.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.3 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.2 111.171 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mmm -73.65 -50.0 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -22.91 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 60.35 110.989 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.0 t -111.62 42.45 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 74.05 111.165 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -52.06 110.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 73.03 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 176.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.92 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB2' HG23 ' A' ' 49' ' ' VAL . 22.1 m-20 -141.97 -177.89 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.887 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -70.86 -41.88 70.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -32.81 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 61.14 110.891 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 46' ' ' ASP . 98.2 t -57.02 -28.33 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 72.24 111.154 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.74 -21.34 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 63.54 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -74.52 -31.94 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 64.43 110.925 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -74.4 -28.42 61.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.078 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.29 -23.58 54.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.31 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -35.84 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.69 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -78.65 -36.27 44.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.849 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.868 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.56 -45.16 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -53.81 -27.84 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.54 -40.68 97.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 70.41 110.932 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.59 14.27 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.5 110.895 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 63.96 73.09 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.84 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.579 HD12 ' HB ' ' A' ' 56' ' ' THR . 23.7 mt -127.21 131.3 23.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.3 39.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 73.1 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.75 -10.31 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.895 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.55 -35.12 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.901 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.2 ptmm? -95.29 -30.38 13.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.953 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.563 ' CG2' HG21 ' A' ' 56' ' ' THR . 74.0 m -73.56 -30.58 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 70.43 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.583 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -51.12 -59.74 7.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 72.03 110.885 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.84 -14.53 35.96 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.6 2.2 . . . . 45.43 112.348 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 96' ' ' ILE . 24.9 t -81.18 -57.13 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.101 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.8 pp -58.19 -42.98 87.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 41.23 110.894 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.8 ptp -60.13 -23.56 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -30.14 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.834 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.3 mt -71.71 -41.17 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.3 mm? -68.99 -23.75 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 70.52 110.924 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.5 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 71.53 110.944 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.82 -31.35 51.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.24 4.79 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.149 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.59 24.59 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 74.44 112.514 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 88.91 38.58 6.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 71.25 112.506 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -115.76 103.97 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 62.44 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 72.3 m95 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.946 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -51.96 -52.22 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -76.71 -42.66 40.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.1 mt -58.77 -26.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.55 111.174 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.01 7.29 46.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 75.54 110.877 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.4 tt -62.36 -17.22 58.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.959 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.95 27.34 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 60.23 110.85 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.29 40.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.928 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.38 40.12 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.898 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.0 m -51.6 -31.83 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 65.21 111.128 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -52.89 -35.23 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 65.34 111.084 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.868 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -68.24 -35.28 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.3 t -61.28 -50.64 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 52.12 111.111 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.864 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.55 -57.36 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 111.083 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 69' ' ' VAL . 39.8 mm -58.55 -45.88 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.72 -31.17 70.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -76.73 -55.01 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 74.45 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 18.6 t -62.32 -54.11 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 33.45 111.088 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.93 -31.45 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.91 155.68 18.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 71.31 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 51.86 80.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.916 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -98.71 -26.43 14.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.889 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -67.72 -27.32 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 64.34 110.888 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.68 38.93 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.2 t -178.05 159.6 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 62.12 110.849 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -72.49 -64.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 73.33 110.848 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 166.46 -153.94 24.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.782 -0.723 . . . . 55.31 112.496 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 74.21 110.916 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 75.2 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.8 123.97 0.68 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.441 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -64.58 110.6 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 62.41 110.868 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.5 m -128.07 74.72 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 73.34 110.821 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -80.47 -70.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t60 61.19 50.12 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 73.41 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -72.38 163.2 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.14 110.829 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -92.26 160.72 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 63.01 110.845 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -131.63 38.66 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -114.99 137.67 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 73.44 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -138.84 -176.09 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.919 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -150.58 134.64 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.52 67.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 35.14 112.514 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 15' ' ' VAL . 1.5 tt -141.3 129.23 21.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 75.11 110.887 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.54 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.3 m -138.94 156.17 72.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 72.12 111.142 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.27 0.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.68 2.254 . . . . 43.04 112.404 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.77 154.31 22.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.875 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 -168.8 11.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 35.32 112.436 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -76.62 172.3 13.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 61.21 110.889 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -122.05 124.5 44.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.884 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.9 ttp 52.39 52.38 14.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tt -64.09 154.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.21 111.114 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -55.23 -26.19 38.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 63.11 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -54.55 -33.33 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 71.21 110.924 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -57.2 114.33 2.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.925 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.34 177.76 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 71.04 112.506 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.5 pt? -106.5 12.08 29.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 74.45 110.958 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -176.14 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.134 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -98.57 66.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 54.34 110.889 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.1 t -165.25 156.3 14.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 75.41 110.926 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 36.93 44.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 61.5 111.125 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.39 -24.98 59.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.871 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 t -116.12 -23.67 8.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -58.27 -22.94 54.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mp -92.77 15.48 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.88 -26.87 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.865 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.7 mmm -68.42 -25.34 64.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 63.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -54.41 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 pt20 -61.32 -30.23 70.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.5 -25.21 65.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.125 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.1 mmt -71.01 -39.62 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 63.13 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.77 -8.41 55.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.89 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.1 t -131.49 66.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.154 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.77 -170.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.826 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 173.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.897 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.616 ' HB2' HG23 ' A' ' 49' ' ' VAL . 69.8 m-20 -144.36 176.01 9.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.887 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -66.93 -42.23 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 74.42 110.892 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.56 70.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.887 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 46' ' ' ASP . 95.3 t -59.12 -27.57 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 63.51 111.15 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.5 mt -67.5 -29.64 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -62.25 -41.21 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.965 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.59 80.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 42.52 111.079 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.56 -19.93 65.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -67.05 -40.17 87.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.826 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.682 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.05 -34.11 57.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.92 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.973 HG22 HD13 ' A' ' 92' ' ' LEU . 38.9 p -74.76 -46.78 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 65.44 111.17 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -53.63 -27.37 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.877 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.57 -40.24 96.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.934 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 12.28 21.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.69 74.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 53.4 110.845 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 96' ' ' ILE . 34.4 mt -129.15 131.4 23.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.678 0.751 . . . . 73.53 111.127 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.57 35.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 65.2 112.321 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -67.62 -10.16 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.72 -24.25 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -111.02 -23.05 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.936 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.735 ' CG2' HG21 ' A' ' 56' ' ' THR . 27.4 m -76.43 -37.64 56.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 64.21 111.203 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.575 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 13.3 mmm -50.9 -55.87 24.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 53.04 110.896 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.74 -17.22 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.27 . . . . 61.01 112.359 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' LYS . 6.9 t -81.64 -47.79 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.097 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD11 HG13 ' A' ' 49' ' ' VAL . 2.9 pp -70.86 -38.78 73.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 51.22 110.826 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.411 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 7.3 ptp -66.04 -24.79 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.918 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.12 -35.69 81.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 6.3 mt -73.36 -41.88 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 84' ' ' ILE . 2.3 mt -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.928 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.36 -50.47 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.855 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.5 -38.52 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.52 110.835 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.9 -16.09 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 62.43 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.58 -11.23 72.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.756 . . . . 23.04 112.469 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' A' ' 74' ' ' LEU . . . 114.29 46.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 70.01 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.34 101.79 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 72.14 110.826 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.52 ' CH2' HD11 ' A' ' 74' ' ' LEU . 95.7 m95 -72.39 -26.69 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 63.52 110.924 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.3 t -53.56 -54.66 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 52.24 110.817 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -76.42 -39.31 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.577 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.5 mt -62.63 -25.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 72.04 111.143 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 1.95 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 65.32 110.974 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tp -50.78 -30.05 13.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 52.3 110.947 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -121.01 27.13 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.886 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.93 3.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 64.15 110.895 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.702 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.3 m-85 62.35 38.0 13.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.957 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 m -51.83 -33.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 61.14 111.167 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.29 -35.79 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.079 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -65.89 -34.17 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.898 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.0 t -65.3 -49.19 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -74.82 -29.82 61.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.844 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -57.38 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.137 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 61' ' ' ILE . 40.9 mm -59.02 -35.46 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.54 111.166 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.22 -34.72 74.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -76.33 -54.95 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.424 HG12 ' NZ ' ' A' ' 65' ' ' LYS . 21.6 t -59.0 -53.58 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.163 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -50.93 -31.23 17.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -58.25 -50.31 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.849 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -130.5 125.36 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.881 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -118.95 -40.01 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 71.02 110.948 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -21.19 10.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 54.53 110.871 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -51.84 105.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.87 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.9 p -174.45 -175.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.848 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -112.49 -31.55 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 60.03 110.897 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.36 -157.99 14.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 71.23 112.465 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 42.3 110.848 -179.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.79 0.329 . . . . 72.12 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -87.6 -12.12 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.21 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -113.22 -22.21 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 33.45 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.9 -26.27 46.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 62.23 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -85.46 -34.41 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -55.26 -26.39 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.843 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 ttt -55.42 -26.12 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.45 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 43' ' ' THR . 8.3 mm100 -64.6 -41.07 96.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.3 -23.71 64.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 45.22 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.3 mtt -70.9 -34.12 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.47 -0.56 42.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.933 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -140.32 66.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.173 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.866 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 70' ' ' LEU . 91.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 71.0 111.12 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.27 -21.42 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.01 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.27 -44.15 97.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 64.44 111.128 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.2 -22.0 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.903 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.2 -46.11 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 65.51 110.925 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -76.51 -32.66 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.869 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 66' ' ' THR . 10.5 p -69.4 -43.98 72.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.102 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -30.49 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.875 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.03 -42.27 84.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.35 11.67 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.15 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 t0 63.73 63.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.754 HD13 HG13 ' A' ' 96' ' ' ILE . 32.8 mt -117.33 131.39 24.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 70.11 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.76 41.09 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 71.13 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.8 -10.54 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.854 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.44 -38.21 63.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -91.78 -28.66 17.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.909 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 56' ' ' THR . 97.4 m -74.09 -30.12 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.72 -59.45 6.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 64.41 110.877 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.71 -13.22 34.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 63.53 112.385 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.8 t -81.4 -57.31 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.6 pp -57.77 -43.78 85.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.967 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.436 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.9 ptt? -60.05 -23.29 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.886 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -73.49 -30.33 63.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.1 mt -75.74 -51.53 12.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.959 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.94 -24.14 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.9 -53.72 55.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.852 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -77.33 -29.76 53.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.63 30.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.056 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.92 23.66 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 64.12 112.477 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.8 39.47 6.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 52.11 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.63 103.99 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 64.14 110.889 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 67.6 m95 -80.85 -21.0 41.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.13 -52.47 51.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.891 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.28 -42.34 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.891 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 74' ' ' LEU . 91.5 mt -58.55 -25.16 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.63 8.25 45.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.907 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.912 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.54 27.0 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.865 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.06 40.8 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.714 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.91 40.7 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 51.22 110.912 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -51.6 -30.42 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.32 111.142 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.52 -36.43 64.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.108 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.04 -34.45 77.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.942 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.27 -50.05 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.167 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.64 -29.85 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.852 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -56.99 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.129 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 61' ' ' ILE . 40.2 mm -60.0 -37.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.42 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.1 -33.79 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -76.48 -55.06 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 54.12 110.82 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.87 -54.3 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 54.41 110.896 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.677 0.275 . . . . 62.34 111.133 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.19 -25.89 63.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 63.15 110.878 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 m -116.56 -23.07 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.845 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.28 -45.88 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.77 15.41 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.982 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.94 -27.81 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.3 mtm -53.09 -41.68 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.8 -38.62 58.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.85 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 43' ' ' THR . 4.8 mm-40 -63.17 -22.47 66.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -22.58 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 53.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.6 mtt -76.0 -38.72 57.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.17 -18.15 60.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 52.11 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 39' ' ' GLN . 2.9 t -118.13 66.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 65.21 111.118 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.835 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.936 0.398 . . . . 72.24 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -68.38 -21.45 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.51 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -73.45 -38.07 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.34 111.122 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.86 -21.3 56.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.75 -41.37 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.13 -33.33 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.878 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.79 HG22 HD13 ' A' ' 92' ' ' LEU . 23.0 p -74.36 -47.2 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.27 -27.3 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.36 -40.45 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.81 13.64 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 52.1 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.29 74.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.876 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.649 HD13 HG13 ' A' ' 96' ' ' ILE . 26.4 mt -129.65 131.03 23.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 70.4 111.145 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.51 40.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.757 2.305 . . . . 71.21 112.335 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.68 -10.38 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.859 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -75.73 -32.76 60.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.87 -30.95 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.32 110.881 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.724 ' CG2' HG21 ' A' ' 56' ' ' THR . 55.1 m -71.15 -30.48 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.127 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.49 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -51.16 -60.53 5.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 61.11 110.895 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.69 -14.93 37.02 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.717 2.278 . . . . 62.23 112.362 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 96' ' ' ILE . 25.1 t -80.04 -57.39 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 34.31 111.133 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 71' ' ' MET . 3.9 pp -58.67 -45.04 90.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.946 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.576 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -58.37 -25.66 62.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.83 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -67.09 -30.2 70.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 70.23 110.943 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.439 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.1 mt -75.33 -42.22 54.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.749 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -67.27 -23.93 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 63.12 110.943 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.12 -54.19 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -77.62 -30.96 52.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 62.11 110.862 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.541 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.77 3.98 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 65.11 111.12 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.4 24.26 29.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 53.25 112.414 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.749 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.27 39.0 6.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.535 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.7 103.86 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 74.01 110.852 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.423 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.9 m95 -79.92 -20.99 44.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.72 -53.26 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.812 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.4 -41.94 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.878 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 77' ' ' ALA . 97.5 mt -58.49 -26.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 75.52 111.095 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.03 8.52 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.85 -16.77 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.25 26.22 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 61.22 110.851 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.22 39.8 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.711 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.7 m-85 61.21 40.59 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 63.14 110.954 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.2 m -51.54 -33.03 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 72.24 111.126 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.86 -36.08 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.35 110.989 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -67.95 -34.59 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 74.4 110.952 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.23 -49.69 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.097 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -74.45 -29.76 61.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 53.11 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.24 -56.96 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.652 HD13 HG21 ' A' ' 69' ' ' VAL . 43.1 mm -60.36 -36.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 51.22 111.084 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.19 -34.53 73.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -76.36 -54.97 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.31 110.895 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.29 -53.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 74.04 111.181 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.877 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.872 0.368 . . . . 64.2 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.84 -24.17 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 62.42 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -116.19 -22.98 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.822 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.45 -44.2 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 72.42 110.847 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.0 15.48 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.891 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.46 -23.9 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.8 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -21.34 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 62.31 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.95 -24.99 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.738 ' O ' HG22 ' A' ' 43' ' ' THR . 5.1 pp0? -54.38 -32.05 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.26 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 42.2 111.092 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.7 mtp -79.66 -33.83 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.76 -6.68 59.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 39' ' ' GLN . 6.9 t -128.18 52.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 72.22 111.21 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.888 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG13 ' CD1' ' A' ' 70' ' ' LEU . 36.8 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.799 0.333 . . . . 74.25 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.56 -32.43 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.912 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -51.07 -34.11 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.61 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.62 -42.23 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.45 111.089 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.62 -20.41 55.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.928 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.58 -40.84 93.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.22 -33.3 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.885 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 66' ' ' THR . 6.0 p -74.18 -43.75 56.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 53.44 111.13 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -56.5 -26.3 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.869 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -65.24 -39.79 93.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.916 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.97 14.01 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.854 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.23 73.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.914 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.464 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.8 mt -130.13 131.2 23.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.692 0.758 . . . . 72.45 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.78 138.8 38.61 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 61.41 112.348 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.78 -10.22 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.928 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.36 -37.72 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.949 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.7 ptmm? -91.46 -30.21 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.841 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 56' ' ' THR . 99.0 m -75.03 -30.31 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.076 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.13 -59.47 6.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 54.33 110.85 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.0 Cg_endo -69.71 -13.23 34.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 74.23 112.362 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.2 t -81.31 -57.36 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.115 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.75 -43.58 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp -60.19 -23.28 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.883 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -30.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.936 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.3 mt -75.88 -51.57 12.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.12 -24.16 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 54.15 110.922 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.36 -53.82 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.835 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.04 -30.34 55.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.96 4.05 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.12 111.089 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.27 23.36 33.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 41.33 112.518 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.783 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.85 40.49 5.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 53.31 112.495 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.79 106.26 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 72.32 110.895 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.61 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.4 m95 -83.92 -20.19 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 t -52.82 -48.01 67.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 64.03 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.21 -42.71 18.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.472 . . . . 63.55 110.964 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.561 HD12 HD13 ' A' ' 74' ' ' LEU . 93.3 mt -58.41 -26.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.097 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.02 7.41 46.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.969 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.9 tt -63.26 -16.23 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.906 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.26 27.44 3.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.843 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.12 41.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.893 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.723 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.74 40.56 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 70.24 110.884 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -51.73 -30.42 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 70.1 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.1 -35.37 64.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 73.54 111.07 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.22 -34.34 76.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.29 -50.59 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.108 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.77 -29.84 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 54.15 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -70.36 -57.24 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.094 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 69' ' ' VAL . 39.7 mm -58.8 -45.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.134 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.66 -31.01 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.928 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -76.61 -55.14 5.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.8 t -62.38 -53.64 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.173 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.827 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.858 0.361 . . . . 61.11 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -76.57 -23.42 53.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.815 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -115.44 -23.34 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.92 -28.39 64.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.05 15.42 18.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.837 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.1 mmm -53.7 -38.49 64.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.01 -24.93 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.936 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.743 ' O ' HG22 ' A' ' 43' ' ' THR . 21.2 mm-40 -88.17 -23.79 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.13 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.43 111.073 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtp -76.19 -40.84 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.68 -16.25 61.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.934 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.6 t -119.96 47.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 62.53 110.894 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 54.35 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.39 -25.41 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -64.08 -38.5 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.9 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 70.34 111.028 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.09 -21.22 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.29 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 54.15 110.898 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.711 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.61 -34.66 53.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.813 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.731 HG22 HD13 ' A' ' 92' ' ' LEU . 7.3 p -75.2 -44.81 44.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -54.47 -27.11 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 70.42 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.4 -39.45 93.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.856 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.57 13.23 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.12 74.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 43.34 110.872 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.0 mt -129.45 131.07 23.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 52.53 111.182 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 139.63 40.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.705 2.27 . . . . 75.4 112.349 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.54 -10.54 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 41.31 110.872 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -75.99 -32.11 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 65.43 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.99 -29.05 13.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.881 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.718 HG21 HG21 ' A' ' 56' ' ' THR . 98.0 m -74.34 -30.9 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.562 ' CE ' HD21 ' A' ' 70' ' ' LEU . 1.3 mmt -51.08 -59.03 8.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.507 0.67 . . . . 43.32 110.874 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.99 36.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 71.03 112.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 65' ' ' LYS . 25.1 t -80.79 -48.21 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 65.11 111.067 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 ' CE ' ' A' ' 67' ' ' MET . 2.6 pp -70.27 -37.76 74.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 70.45 110.914 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.16 -22.95 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.888 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.937 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 3.8 mt -83.69 -44.72 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -69.8 -23.8 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.54 110.86 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.24 -51.61 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 70.21 110.833 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.16 -39.94 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.03 110.916 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.49 -14.39 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 41.13 111.109 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.88 -9.22 77.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 70.51 112.473 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.42 49.31 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 52.33 112.554 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 101.89 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.774 0.321 . . . . 61.04 110.842 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -72.57 -28.57 62.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -54.32 -44.49 72.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 62.24 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.87 -41.76 13.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.549 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.4 mt -61.21 -26.97 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 62.25 111.155 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.17 2.25 42.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.893 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 tt -51.03 -30.01 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 65.54 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -123.52 28.25 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.843 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.0 41.1 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.703 ' CB ' HD23 ' A' ' 92' ' ' LEU . 11.3 m-85 63.48 38.1 10.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.922 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -52.26 -33.13 40.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 75.02 111.151 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.48 -35.46 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.079 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.13 -34.08 75.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 73.5 110.91 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.97 -49.55 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.148 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.88 -29.94 61.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.872 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 -57.38 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 61.11 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.552 HD13 HG21 ' A' ' 69' ' ' VAL . 40.3 mm -58.85 -38.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.119 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.44 -33.11 72.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.1 t -76.56 -55.05 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 72.53 110.815 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.32 -53.73 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.136 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 72.43 110.909 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.767 0.317 . . . . 72.15 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -73.19 -25.79 60.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.877 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -116.31 -25.09 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 20.33 110.815 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.93 -25.94 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -52.77 -33.92 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.93 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -55.22 -26.56 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.859 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mmt -55.2 -29.33 57.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 34.33 110.886 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -77.19 -26.65 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.896 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.717 ' O ' HG22 ' A' ' 43' ' ' THR . 28.5 mm-40 -75.51 -24.23 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.936 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.5 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.177 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.2 mmm -76.59 -44.02 36.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.842 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.76 -19.77 64.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.05 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.1 t -114.4 43.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.856 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 70' ' ' LEU . 53.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.845 0.355 . . . . 62.45 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -58.84 -33.03 69.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 61.31 110.935 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -51.19 -34.68 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.885 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.22 -42.03 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 55.02 111.108 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.41 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 70.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.35 -39.97 89.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 75.55 110.915 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.751 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.5 tpt180 -77.4 -33.49 55.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.52 110.874 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.5 p -74.7 -44.35 50.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.32 111.153 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -55.68 -26.66 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 65.21 110.862 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.937 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.44 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 73.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.849 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.539 HG23 ' HD3' ' A' ' 65' ' ' LYS . 28.5 mt -128.43 131.05 23.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 70.44 111.085 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 138.85 39.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 70.01 112.351 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -67.77 -10.33 51.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.29 -36.49 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.867 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -92.5 -30.25 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.904 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 96.2 m -73.43 -30.57 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 42.51 111.108 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -50.49 -59.75 6.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 64.42 110.831 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.42 35.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 75.05 112.391 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 65' ' ' LYS . 35.3 t -81.23 -57.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.123 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.39 -43.19 83.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.9 ptm -60.69 -23.71 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.869 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -30.22 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.579 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.8 mt -72.09 -49.61 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.41 -23.99 67.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 64.54 110.939 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.11 -53.99 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -77.4 -30.9 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 4.23 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.045 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.44 23.98 29.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 54.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.74 41.24 5.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 53.24 112.441 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.48 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 64.15 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.568 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 73.4 m95 -82.73 -20.51 35.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -52.74 -53.27 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 60.41 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -76.05 -44.38 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.915 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.498 HG22 ' HD1' ' A' ' 89' ' ' TYR . 92.7 mt -56.37 -31.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.126 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.59 -10.04 38.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.909 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -51.79 -29.92 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.968 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.7 23.39 12.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.43 40.36 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.942 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.73 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.4 m-85 61.12 40.55 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.942 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 m -51.39 -32.57 26.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 44.32 111.133 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.17 -36.35 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.31 111.123 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.886 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.88 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.95 -29.75 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.851 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.15 -57.42 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.548 HD13 HG21 ' A' ' 69' ' ' VAL . 38.3 mm -58.5 -35.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.171 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.43 -33.99 73.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.914 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -76.33 -54.94 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 71.32 110.931 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.6 -52.7 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 53.31 111.088 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.774 0.321 . . . . 72.23 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.48 -23.38 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m -114.24 -21.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.928 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -58.27 -24.72 60.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 62.24 110.907 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.0 15.46 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.26 1.43 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.76 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -40.28 29.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.66 -25.95 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 73.55 110.918 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.72 ' O ' HG22 ' A' ' 43' ' ' THR . 17.1 mt-30 -79.96 -23.76 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.892 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.85 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.108 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.44 -32.5 48.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 65.04 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.96 6.06 34.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 60.5 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 39' ' ' GLN . 7.3 t -142.73 52.2 1.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.122 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.934 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 70' ' ' LEU . 98.9 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.944 0.402 . . . . 61.15 111.173 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.31 -24.49 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.88 -38.58 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.954 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.552 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 43.32 111.093 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.93 -21.12 57.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.893 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.42 -43.08 91.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.52 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.0 tpt180 -77.29 -32.69 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.53 110.873 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 66' ' ' THR . 17.7 p -73.12 -46.69 49.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 43.23 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -56.06 -27.05 51.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.77 -40.5 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.914 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.22 15.55 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.94 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 64.32 74.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.892 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' ILE . 17.4 mt -133.98 124.58 17.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 64.03 111.16 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.19 29.89 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.726 2.284 . . . . 74.23 112.366 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -19.1 37.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 65.15 110.802 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.37 -42.58 98.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.33 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.654 ' O ' HG23 ' A' ' 69' ' ' VAL . 6.5 ptmm? -89.54 -29.43 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.33 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 56' ' ' THR . 88.4 m -73.04 -30.52 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.095 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.495 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.57 -60.06 5.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 71.35 110.863 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.72 -12.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 43.11 112.364 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.1 t -81.45 -57.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.121 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.79 -43.77 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.6 ptm -60.08 -23.41 63.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -30.39 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.875 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.6 mt -75.67 -51.59 12.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 71.02 110.941 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.764 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.47 -24.18 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 42.4 110.948 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.13 -53.74 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.944 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.37 -29.83 53.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 75.5 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.33 4.57 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 52.41 111.078 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.99 31.89 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 42.1 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.764 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.45 39.33 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.823 -0.703 . . . . 73.12 112.506 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.69 104.94 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 74.55 110.818 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.552 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.4 m95 -81.33 -20.71 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 65.4 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.42 -52.87 51.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 65.31 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -76.81 -42.26 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.558 HD12 HD13 ' A' ' 74' ' ' LEU . 91.4 mt -58.55 -25.45 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 75.3 111.139 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.74 7.97 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.807 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.3 tt -62.87 -16.73 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 44.44 110.89 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.75 27.46 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 52.21 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.19 40.92 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 71.14 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.721 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.1 m-85 61.25 40.32 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.848 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -51.98 -29.53 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 75.5 111.164 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.64 -35.03 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 64.32 111.099 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.3 pp -68.42 -34.95 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 70.24 110.852 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.89 -50.9 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 60.32 111.188 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.08 -29.83 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.25 -57.26 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 62.44 111.18 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.765 HG13 HD13 ' A' ' 61' ' ' ILE . 41.3 mm -59.2 -46.75 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -60.81 -29.89 69.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 70.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.6 t -76.3 -54.38 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.832 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 95' ' ' ALA . 14.5 t -64.54 -52.07 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.139 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.884 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.745 0.307 . . . . 73.21 111.089 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.74 -21.67 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -116.09 -17.88 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.9 -25.31 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.865 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -51.83 -30.01 21.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -31.0 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.882 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 23.4 mmm -52.03 -31.02 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 32.23 110.871 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.44 -47.67 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 65.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -73.02 -24.12 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 37' ' ' MET . . . -61.15 -22.83 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 61.02 111.109 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.03 -49.16 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.3 -22.05 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.91 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -103.31 -22.37 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.13 111.185 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.53 110.9 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 70' ' ' LEU . 5.2 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 73.34 111.18 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.98 -24.62 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.964 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -61.04 -32.47 72.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.847 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 56' ' ' THR . . . -68.66 -36.07 78.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.02 111.127 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 66' ' ' THR . 81.8 mt -59.09 -21.38 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 63.53 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.23 -40.98 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 75.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.78 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.8 tpt180 -77.04 -33.18 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.897 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.1 p -74.45 -43.22 57.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 40.44 111.136 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -57.94 -26.38 62.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -65.37 -40.05 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.837 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.51 14.34 17.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.856 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.39 74.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.859 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 27.8 mt -130.64 130.62 22.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 63.22 111.107 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.35 39.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.241 . . . . 75.53 112.283 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -67.75 -10.38 52.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.873 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.68 -40.34 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -90.25 -27.5 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.912 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 91.6 m -73.1 -30.45 63.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.103 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.68 -59.9 6.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 74.1 110.869 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.7 -14.78 36.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.744 2.296 . . . . 51.41 112.373 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 65' ' ' LYS . 33.4 t -81.08 -56.95 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.189 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 pp -58.07 -43.04 86.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.893 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.3 ptm -60.21 -23.55 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.82 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -71.6 -29.64 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.04 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.541 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.9 mt -72.21 -40.16 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 54.4 110.916 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.2 mm? -70.28 -23.18 62.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.919 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -60.99 -50.65 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -77.07 -42.92 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -74.43 -2.82 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.084 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.9 22.6 62.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 94.59 36.9 5.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 61.41 112.554 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.84 106.35 13.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 55.15 110.917 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 76.0 m95 -80.8 -22.68 39.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -51.88 -52.42 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.877 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.64 -42.99 40.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 65.25 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 96.0 mt -58.36 -24.62 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.488 . . . . 64.03 111.11 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.96 -0.34 42.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.857 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.73 -25.5 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.34 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.05 26.39 7.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.89 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.78 42.95 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.695 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.3 m-30 60.76 41.92 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -55.94 -29.94 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.15 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.72 -36.73 65.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.09 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.05 -34.15 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 43.53 110.878 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.04 -49.03 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.25 111.133 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.4 -29.82 61.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.854 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 -56.97 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 41.8 mm -59.62 -40.19 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.22 111.134 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.61 -32.61 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -76.5 -54.82 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.826 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.11 -54.07 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.54 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.53 110.926 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.815 0.34 . . . . 72.21 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.41 -27.99 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.939 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -132.25 15.49 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 51.35 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -88.89 -25.66 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.851 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.63 15.48 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.898 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -79.46 -28.3 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.844 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mtm -63.43 -20.43 65.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.874 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -51.76 -34.08 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 65.44 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -57.56 -33.3 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.36 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.079 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.0 mmm -54.36 -49.11 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.87 -18.27 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.992 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -131.46 66.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.151 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.947 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG11 ' HE3' ' A' ' 67' ' ' MET . 55.2 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.777 0.322 . . . . 71.01 111.064 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.66 -31.34 69.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 73.5 110.925 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -50.63 -33.44 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 72.52 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.42 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 74.21 111.069 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.88 -19.79 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.892 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -66.13 -40.36 90.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.88 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.75 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.33 -33.58 55.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.876 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.818 HG22 HD13 ' A' ' 92' ' ' LEU . 17.5 p -74.51 -46.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 53.04 111.131 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -54.19 -27.29 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.89 -40.69 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.945 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 14.86 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.95 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.27 73.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.14 110.937 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.455 HD12 ' HB ' ' A' ' 56' ' ' THR . 20.0 mt -130.25 131.01 23.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 71.3 111.072 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 138.77 38.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 65.43 112.349 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -67.71 -10.31 51.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.6 -37.36 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.869 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 69' ' ' VAL . 9.1 ptmm? -92.38 -30.39 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 HG21 ' A' ' 56' ' ' THR . 99.4 m -74.78 -30.73 61.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.245 -0.434 . . . . 64.53 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.55 ' CE ' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -50.62 -59.16 7.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 73.24 110.855 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.75 -15.41 37.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 52.23 112.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 96' ' ' ILE . 32.1 t -80.71 -56.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.692 ' O ' HD12 ' A' ' 74' ' ' LEU . 2.8 pp -56.86 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 21.2 ptm -68.92 -25.22 64.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.824 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -62.77 -30.77 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 72.53 110.865 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 91' ' ' ALA . 1.8 mt -81.12 -49.77 10.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.912 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.1 mt -66.34 -22.37 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.941 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.75 -52.77 18.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 63.41 110.884 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.66 -38.4 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 72.23 110.851 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 -9.75 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.32 -12.35 62.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.44 112.499 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 46.51 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 60.13 112.531 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.3 100.7 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 71.53 110.843 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.577 ' CE2' HD21 ' A' ' 74' ' ' LEU . 94.9 m95 -69.01 -30.57 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -54.74 -54.81 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.789 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.51 -37.64 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.959 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.498 HD13 ' HG ' ' A' ' 74' ' ' LEU . 92.8 mt -66.18 -24.75 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 70.55 111.168 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -1.22 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.26 -30.97 12.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 43.1 110.848 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -119.53 26.1 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.55 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.49 43.97 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.846 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.722 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 61.64 33.97 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.962 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.4 m -51.65 -33.71 34.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 75.34 111.085 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' HB3' HD13 ' A' ' 73' ' ' LEU . . . -51.04 -36.15 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 65.13 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.818 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -66.32 -35.62 80.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 54.31 110.845 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.7 t -62.62 -49.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 62.51 111.09 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.04 -30.98 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.89 -57.57 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 33.01 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.643 HD13 HG21 ' A' ' 69' ' ' VAL . 35.8 mm -56.58 -46.64 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.095 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -60.74 -30.53 70.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.886 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -76.5 -55.38 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.5 t -62.48 -51.37 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 74.1 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.812 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.717 0.294 . . . . 62.44 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -73.65 -23.9 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 m -113.64 -21.91 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.44 -26.3 41.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 63.12 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.74 -25.84 66.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 70.12 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -53.0 -29.11 27.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.893 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 ttt -52.67 -29.39 26.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -56.18 -25.4 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 43' ' ' THR . 19.8 mt-30 -54.48 -33.76 60.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 54.35 110.914 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.55 67.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 53.04 111.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.39 -44.63 28.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.02 -30.16 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 71.51 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 39' ' ' GLN . 11.2 t -99.72 30.93 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.058 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.816 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.741 HG11 ' HE1' ' A' ' 67' ' ' MET . 84.3 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.878 0.371 . . . . 65.51 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.9 -21.32 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.888 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -71.01 -37.05 72.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 56' ' ' THR . . . -63.1 -41.97 99.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 40.41 111.076 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.98 -23.65 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.64 -52.39 65.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.697 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.49 -32.27 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 74.14 110.867 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 66' ' ' THR . 9.4 p -74.26 -31.33 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 54.23 111.118 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -68.07 -35.83 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.868 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.31 -36.03 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.829 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.1 mt -87.79 6.57 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.898 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 65.43 75.88 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 96' ' ' ILE . 22.3 mt -137.37 131.02 17.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.65 0.738 . . . . 70.01 111.083 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 139.72 40.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.47 -10.74 54.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.08 -31.75 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.926 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -99.57 -25.11 14.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.808 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 56' ' ' THR . 87.7 m -74.99 -30.41 61.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.741 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.69 -58.98 7.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 73.43 110.882 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.78 -15.15 36.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 2.233 . . . . 74.41 112.316 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 65' ' ' LYS . 41.7 t -80.81 -50.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.182 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.635 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.3 pp -69.28 -39.6 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.4 ppp? -68.67 -23.21 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.9 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -65.4 -30.56 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 mt -83.49 -43.08 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.933 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -71.26 -23.87 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.909 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.86 -52.54 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -77.28 -39.26 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.39 -12.47 60.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 61.33 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 -9.51 71.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 73.01 112.515 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.02 50.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.15 112.481 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.35 101.98 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 72.13 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -72.58 -27.84 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 t -55.89 -44.09 77.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.31 110.839 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.06 -37.89 17.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 75.52 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.547 HD13 ' HG ' ' A' ' 74' ' ' LEU . 90.9 mt -65.99 -26.0 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.52 111.113 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -0.64 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.949 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.09 -31.51 13.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -119.35 26.64 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.811 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.95 40.96 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.911 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.685 ' CB ' HD23 ' A' ' 92' ' ' LEU . 12.8 m-85 63.43 37.62 10.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -51.5 -33.33 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.33 -35.94 40.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.076 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.697 HD21 ' CG ' ' A' ' 55' ' ' ARG . 1.2 pp -66.56 -33.97 76.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -65.1 -49.08 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.17 -30.06 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.3 -57.39 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 63.54 111.127 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 61' ' ' ILE . 41.0 mm -58.41 -36.32 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.16 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 t -76.43 -54.93 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.88 -54.9 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 62.23 111.112 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.941 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 70.31 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.97 -25.13 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 t -116.03 -23.53 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 61.24 110.859 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.79 -23.31 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.881 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.69 15.5 14.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -77.74 -25.97 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.861 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.14 -43.66 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -54.19 -35.4 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.66 ' O ' HG22 ' A' ' 43' ' ' THR . 23.4 mt-30 -58.24 -23.15 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -19.78 60.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 51.04 111.098 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.3 mmm -85.33 -43.66 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.848 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.46 -26.27 63.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.956 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.9 t -97.56 36.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.178 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.903 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG11 ' HE3' ' A' ' 67' ' ' MET . 88.6 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.801 0.334 . . . . 74.12 111.097 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.98 -21.28 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.888 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -74.88 -37.17 62.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.43 98.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.35 111.079 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.58 -20.4 55.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 55.23 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -41.78 87.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.13 -33.19 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.778 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.19 -47.61 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.157 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.36 -27.82 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.04 -40.65 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.865 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.37 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 73.1 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 64.3 74.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.736 HD13 HG13 ' A' ' 96' ' ' ILE . 23.3 mt -130.04 131.17 23.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 74.23 111.112 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.0 41.81 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.719 2.279 . . . . 73.41 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.82 -10.42 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 54.42 110.81 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.59 -34.0 60.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.912 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.08 -30.76 12.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 52.22 110.861 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.713 ' CG2' HG21 ' A' ' 56' ' ' THR . 90.8 m -70.98 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.155 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.505 ' HE3' HG11 ' A' ' 49' ' ' VAL . 1.4 mmt -50.54 -60.7 4.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.569 0.699 . . . . 71.43 110.878 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.8 -14.17 35.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.752 2.301 . . . . 71.12 112.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.5 t -79.84 -57.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 71.11 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 71' ' ' MET . 4.0 pp -58.79 -44.59 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 62.12 110.91 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.571 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -59.16 -26.26 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.92 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.44 -30.19 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 62.31 110.865 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.449 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.9 mt -75.03 -42.49 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.4 mm? -67.07 -23.78 65.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.62 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.71 -31.07 52.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.891 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.81 3.81 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 54.23 111.078 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.49 23.98 29.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 71.25 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.92 38.71 6.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.466 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.75 104.03 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.361 . . . . 71.45 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.41 ' CE2' HD11 ' A' ' 74' ' ' LEU . 69.8 m95 -79.6 -22.31 43.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.99 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -52.44 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.35 110.837 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.41 -41.86 38.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.8 mt -59.06 -26.31 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.13 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.36 8.07 44.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.947 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.51 -17.27 59.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.874 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.0 26.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 110.876 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.76 39.78 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.955 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.707 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.6 m-85 61.32 40.5 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.917 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -51.47 -33.04 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 65.02 111.15 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -51.65 -35.8 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.21 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.97 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.146 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.51 -29.74 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.916 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -56.96 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.103 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.736 HG13 HD13 ' A' ' 61' ' ' ILE . 43.3 mm -59.77 -37.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.18 -33.82 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -76.5 -54.98 5.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.093 -0.503 . . . . 61.14 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.71 -53.55 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.189 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 55.43 110.919 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.855 0.36 . . . . 55.54 111.216 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.11 -17.17 35.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -114.22 -20.68 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.55 -28.86 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.01 15.39 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 42.41 110.911 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.07 -27.99 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.933 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 ttm -76.8 -25.7 53.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -72.99 -20.68 60.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.896 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -51.89 -57.55 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.54 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 61.2 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.4 -25.35 50.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 38' ' ' GLN . 3.3 mm? -78.2 -9.02 59.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 75.22 110.945 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -67.89 0.93 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.19 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.944 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.613 HG13 ' CD1' ' A' ' 70' ' ' LEU . 51.7 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 72.44 111.086 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.873 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -51.53 -31.44 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.862 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.25 -38.35 68.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.05 111.088 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' OD2' ' A' ' 63' ' ' ASP . 42.5 mt -60.14 -20.02 56.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.958 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.87 -43.0 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.935 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.755 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.2 tpt180 -77.59 -32.84 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 62.02 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 66' ' ' THR . 17.4 p -72.17 -46.33 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 50.13 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.33 -27.1 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.21 -40.24 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.958 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.66 14.07 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.915 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.72 73.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.32 110.824 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 96' ' ' ILE . 38.6 mt -132.0 130.85 22.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 61.12 111.145 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.99 39.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 52.22 112.353 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD2' HD22 ' A' ' 53' ' ' LEU . 17.6 m-20 -67.71 -10.3 51.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 74.52 110.787 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.1 -38.19 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.862 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -91.42 -28.94 17.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.883 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 56' ' ' THR . 98.1 m -73.8 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.139 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.1 -59.32 7.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.677 . . . . 65.03 110.887 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.72 -13.07 34.25 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 70.04 112.303 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.9 t -80.8 -57.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 52.33 111.125 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.613 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.85 -43.38 85.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.851 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -59.57 -23.64 63.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.898 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -29.98 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.2 mt -74.72 -51.36 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.01 110.98 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.779 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.75 -24.17 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.23 -53.66 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 71.51 110.922 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.0 -30.39 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.868 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.91 4.02 31.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.106 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.57 23.1 34.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 73.41 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.779 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 90.38 39.84 5.89 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.81 -0.71 . . . . 73.32 112.516 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.58 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 70.22 110.88 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.1 m95 -82.18 -20.28 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.939 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.864 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.37 -42.82 24.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.556 HD12 HD13 ' A' ' 74' ' ' LEU . 92.3 mt -57.81 -27.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 51.53 111.103 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.26 -0.87 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.835 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.4 tt -56.14 -23.88 37.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.903 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.76 25.17 7.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.863 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.68 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.864 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.715 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.3 m-85 61.15 40.53 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -51.62 -33.57 33.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.507 . . . . 62.4 111.16 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.46 -35.97 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.079 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.755 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.4 -34.52 77.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.64 -49.47 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.191 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.85 -29.89 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 63.55 110.904 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.773 HG13 HD13 ' A' ' 61' ' ' ILE . 42.7 mm -59.46 -38.93 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.166 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.57 -33.18 72.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.93 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -76.36 -54.88 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.83 -54.37 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.123 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.87 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 27.1 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 55.03 111.063 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -26.54 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.914 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -116.25 -25.12 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.847 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.98 -25.74 45.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 65.45 110.835 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 31' ' ' VAL . 2.3 mm? -64.3 -25.93 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.929 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.26 -28.2 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.822 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 ttt -80.98 -32.44 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.816 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -57.87 -23.57 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.937 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 24.9 mm-40 -53.99 -36.8 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.79 68.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 53.13 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.7 mmt -79.33 -44.86 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.07 -29.02 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.17 25.54 4.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.103 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 52.24 110.859 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' A' ' 70' ' ' LEU . 5.9 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 61.13 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.3 mt -52.71 -33.63 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.23 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -51.16 -32.95 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.15 110.924 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.37 -41.42 66.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.052 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.63 -20.28 54.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.275 -0.42 . . . . 64.34 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.69 -42.44 91.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.944 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.753 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.3 tpt180 -77.13 -33.02 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 64.23 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 66' ' ' THR . 21.1 p -73.48 -46.92 45.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 51.33 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -55.89 -27.36 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 63.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.58 -40.15 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.1 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.53 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 64.18 73.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.886 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -129.65 131.3 23.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 64.54 111.218 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 138.84 38.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 72.33 112.346 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.62 -10.31 50.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.819 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.65 -32.52 60.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.877 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.18 -30.77 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.86 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 56' ' ' THR . 97.0 m -73.47 -30.79 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.14 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.506 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -51.62 -59.6 7.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 73.43 110.913 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.73 -15.21 37.08 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 73.44 112.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 65' ' ' LYS . 23.7 t -81.5 -49.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.41 111.129 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' A' ' 49' ' ' VAL . 2.6 pp -64.94 -40.05 94.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.909 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 16.9 ptt? -61.44 -25.04 66.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 64.51 110.871 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -30.88 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 74.1 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.5 mt -70.38 -46.15 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.872 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.677 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -72.02 -22.47 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.33 110.924 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.4 -54.02 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.867 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.39 -36.4 45.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.48 -17.95 60.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 70.44 111.157 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.75 11.0 82.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 21.31 112.48 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.677 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 97.27 39.34 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 71.14 112.536 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.32 108.43 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 74.32 110.904 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.494 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.7 m95 -85.18 -20.49 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.929 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.0 t -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -86.64 -45.73 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.12 110.944 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 73' ' ' LEU . 95.7 mt -58.0 -25.21 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 75.31 111.094 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.39 1.55 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.93 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.0 tt -62.47 -16.95 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -130.94 26.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.819 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.89 42.45 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.72 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 60.18 41.3 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.939 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -52.78 -30.97 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 53.4 111.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.85 -36.44 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.07 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.753 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.69 -33.59 75.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.52 111.0 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.85 -49.43 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.24 111.134 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -74.65 -29.99 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.35 110.888 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.35 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 61.54 111.067 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 69' ' ' VAL . 37.8 mm -58.48 -37.74 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.152 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.916 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -77.17 -55.03 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.59 -47.01 89.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.894 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.738 0.304 . . . . 65.33 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.44 -23.82 53.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -116.0 -23.74 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.905 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -57.89 -27.2 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 64.11 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.9 15.48 14.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.74 -26.0 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.8 ttp -61.04 -27.25 68.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.0 -26.25 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 70.31 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 43' ' ' THR . 27.4 mt-30 -60.35 -24.09 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.38 67.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 70.45 111.067 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.49 -45.4 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.885 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.16 -21.0 64.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 65.03 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -114.72 44.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 72.02 111.136 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.5 110.844 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 70' ' ' LEU . 55.4 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.821 0.343 . . . . 63.2 111.157 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.8 mt -55.04 -32.38 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 33.24 110.889 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -50.88 -32.77 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.862 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.24 -45.35 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 64.34 111.18 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -56.84 -23.36 43.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 62.2 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -59.45 -48.17 82.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 61.24 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.87 -32.96 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 70.33 110.948 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 66' ' ' THR . 5.7 p -71.13 -38.69 72.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.34 111.158 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -54.45 -36.92 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -64.81 -33.19 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.551 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -91.52 4.06 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.921 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.91 73.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.05 110.905 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HG13 ' A' ' 96' ' ' ILE . 14.8 mt -132.39 129.83 21.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 64.3 111.121 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 136.05 32.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 74.04 112.323 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -17.75 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.905 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.12 -44.33 84.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 41.11 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 69' ' ' VAL . 12.4 ptmt -88.88 -28.34 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.934 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' THR . 88.7 m -74.54 -30.32 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.108 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.525 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -49.89 -59.31 7.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 71.22 110.814 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.74 -13.65 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 74.33 112.337 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.7 t -80.99 -56.28 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -61.3 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.92 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.11 -23.48 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.42 110.914 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HE2' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -72.78 -30.3 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.51 110.923 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' HE2' ' A' ' 72' ' ' LYS . 6.8 mt -71.8 -46.71 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.926 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.89 -23.91 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.24 110.956 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -54.03 51.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.52 -30.83 53.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.98 4.38 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 72.14 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.54 28.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 72.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.53 39.39 6.31 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.733 -0.746 . . . . 61.0 112.561 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.82 106.42 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 74.22 110.884 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.57 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 66.1 m95 -82.37 -20.3 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -52.8 -52.14 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.31 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -77.55 -42.43 35.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.914 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 74' ' ' LEU . 94.7 mt -58.41 -26.85 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.22 111.164 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.43 6.37 48.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 50.41 110.916 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.7 tt -63.19 -16.13 59.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 45.45 110.972 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.07 27.36 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.6 41.64 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.907 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.4 m-30 60.12 40.99 17.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 64.41 110.965 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.4 m -51.33 -33.52 29.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 54.14 111.203 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.47 -36.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.32 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -66.61 -34.05 77.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.927 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.72 -48.99 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.085 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -74.38 -30.14 61.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.67 -56.82 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.139 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.8 HG13 HD13 ' A' ' 61' ' ' ILE . 38.4 mm -61.72 -35.75 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.14 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.7 -33.73 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -76.07 -54.74 6.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 42.25 110.826 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.03 -56.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 65.2 110.916 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.313 . . . . 65.42 111.114 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -75.08 -24.99 58.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -116.02 -24.59 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.512 . . . . 74.11 110.864 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.98 -26.16 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 74.32 110.825 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -25.19 35.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.436 . . . . 71.21 110.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.92 -40.5 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.875 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.41 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -74.78 -45.43 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 43' ' ' THR . 9.3 pt20 -66.69 -31.65 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.81 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.066 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 mmm -81.91 -41.22 21.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 65.54 110.843 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.67 -25.08 61.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.945 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.2 t -100.64 36.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.155 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.621 HG11 ' HE1' ' A' ' 67' ' ' MET . 87.7 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.899 0.381 . . . . 53.43 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.03 -22.34 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 54.15 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.91 -38.7 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.915 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -64.25 -43.9 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 62.4 111.073 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.09 -22.86 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.956 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.69 -42.26 91.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.11 110.848 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.741 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.21 -32.65 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.905 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 92' ' ' LEU . 17.8 p -73.77 -46.67 44.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 73.01 111.161 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -54.82 -26.82 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.43 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -63.57 -40.58 97.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 72.42 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.55 16.4 12.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.73 74.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.903 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 96' ' ' ILE . 16.0 mt -135.12 118.45 13.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 52.22 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.41 32.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 63.41 112.388 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -20.0 28.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 54.22 110.838 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.52 -31.6 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.9 ptmt -104.26 -28.49 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 71.11 110.934 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.587 HG21 HG21 ' A' ' 56' ' ' THR . 69.7 m -73.74 -30.49 62.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.186 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.621 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -50.03 -59.59 6.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 74.33 110.884 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.5 Cg_endo -69.7 -14.43 36.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 74.21 112.408 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.8 t -81.14 -57.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 65.14 111.117 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -58.21 -43.19 87.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.034 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.432 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.4 ptt? -60.08 -23.34 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.913 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.77 -30.54 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.14 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.7 mt -74.13 -50.35 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 63.34 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.755 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.7 mm? -61.47 -24.05 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.965 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -53.91 52.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.859 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -77.27 -30.38 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.3 31.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 51.14 111.083 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.73 31.04 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.755 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.71 39.13 6.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 43.21 112.494 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.66 105.04 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.335 . . . . 75.44 110.907 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.548 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.5 m95 -81.06 -21.75 39.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.942 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 t -51.79 -51.95 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.867 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.25 -42.57 36.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 75.54 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 74' ' ' LEU . 94.0 mt -58.6 -25.16 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.33 111.173 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 6.72 47.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.887 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.27 -17.28 58.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -133.93 27.42 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.833 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 40.97 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.9 m-85 61.1 40.36 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 64.32 110.935 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -51.67 -33.39 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.37 -36.68 44.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.13 111.088 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.741 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.02 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.41 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.17 -49.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.152 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.44 -29.94 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.853 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.89 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.775 HG13 HD13 ' A' ' 61' ' ' ILE . 43.9 mm -60.83 -35.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.41 111.136 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.21 -34.75 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -76.26 -54.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.865 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.36 -54.29 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 61.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.903 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 73.34 111.098 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -77.57 -22.97 50.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -115.9 -24.22 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 61.4 110.845 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.49 -26.18 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.34 110.94 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -90.0 -25.81 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 52.15 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.67 -34.43 73.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.24 110.864 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -26.76 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.849 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.82 -28.05 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 43' ' ' THR . 2.4 pt20 -60.02 -32.75 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.5 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.05 111.094 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.8 mtp -81.19 -28.97 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.6 6.49 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -139.59 48.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.13 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 65.22 110.93 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.686 HG13 ' CD1' ' A' ' 70' ' ' LEU . 93.1 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.876 0.37 . . . . 75.43 111.089 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.33 -25.98 65.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.15 -40.3 90.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.896 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.88 -42.8 99.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 53.42 111.107 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.89 -21.41 57.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 60.45 110.895 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.82 -38.82 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.35 110.853 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG3' HD21 ' A' ' 92' ' ' LEU . 5.7 tpt180 -77.56 -34.43 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.936 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 66' ' ' THR . 13.3 p -74.89 -44.69 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.24 111.172 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.29 -26.77 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.13 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -65.14 -39.68 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 12.5 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 60.23 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.08 75.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.867 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.644 HD13 HG13 ' A' ' 96' ' ' ILE . 37.6 mt -130.42 131.28 23.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 74.24 111.163 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.25 32.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.744 2.296 . . . . 72.41 112.316 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -67.82 -9.9 48.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 65.13 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.81 -23.96 55.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -108.79 -25.24 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.904 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 56' ' ' THR . 11.9 m -75.98 -37.19 58.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.559 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.9 mmm -49.08 -56.74 14.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 64.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.81 -15.48 36.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 74.11 112.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.1 t -81.52 -56.01 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 74.2 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.686 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.06 -44.44 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.4 ppp? -60.39 -23.39 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.822 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -30.17 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.4 mt -75.28 -51.28 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.9 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -57.84 -24.07 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.887 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -53.8 53.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.826 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -77.47 -29.58 52.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.2 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.53 3.88 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 65.3 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.76 19.93 37.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 92.25 40.51 5.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 73.13 112.485 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 103.57 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 73.33 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.608 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 64.9 m95 -81.54 -21.78 38.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -51.24 -50.64 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 61.11 110.875 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.03 -43.21 24.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 74' ' ' LEU . 88.9 mt -58.25 -24.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.32 111.197 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.3 -2.41 39.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.925 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 86' ' ' LEU . 10.4 tt -53.01 -27.54 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.42 110.943 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.73 24.33 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.813 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.7 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.726 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.43 40.33 14.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.933 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -51.76 -30.5 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.45 111.132 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.77 -36.82 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 61.31 111.098 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.726 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -65.68 -33.77 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.884 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.64 -49.65 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 73.22 111.089 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.02 -29.74 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.47 -57.19 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 44.13 111.073 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.644 HG13 HD13 ' A' ' 61' ' ' ILE . 39.6 mm -58.86 -38.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.172 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.42 -33.45 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.966 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 t -76.52 -55.09 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.43 110.799 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.02 -53.58 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.081 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.862 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 64.14 111.083 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -67.5 -29.84 69.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 62.53 110.973 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -137.54 18.46 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.87 -30.87 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.3 110.881 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -24.81 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.9 -30.18 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -35.0 33.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.92 -26.02 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 53.41 110.95 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 20.4 mm-40 -54.65 -34.07 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.909 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HG22 ' A' ' 43' ' ' THR . . . -63.45 -25.14 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.135 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.3 mtp -81.51 -43.92 18.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.72 -26.46 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 62.54 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.41 24.19 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 60.01 111.19 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 61.33 110.88 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 70' ' ' LEU . 19.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 74.33 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.61 -34.06 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.12 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -50.76 -34.78 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.911 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.629 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.4 -37.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.41 111.12 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.41 -21.37 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.934 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HG3' HD21 ' A' ' 92' ' ' LEU . 6.2 tpt180 -78.05 -32.97 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.831 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 66' ' ' THR . 7.9 p -74.73 -43.72 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.149 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -54.24 -26.02 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -64.28 -37.63 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.879 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.56 15.06 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 65.41 75.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.9 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 96' ' ' ILE . 16.8 mt -135.02 118.47 13.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 63.31 111.182 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 135.05 29.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 73.04 112.367 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.44 -20.06 27.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.87 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.08 -28.27 68.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.808 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.8 ptmt -109.49 -26.07 10.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 56' ' ' THR . 9.6 m -76.41 -34.36 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.18 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.554 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 10.8 mmm -49.29 -57.15 12.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.499 0.666 . . . . 65.44 110.848 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.1 Cg_endo -69.72 -15.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 73.4 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.7 t -81.53 -56.0 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.22 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.647 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.21 -44.61 97.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.937 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.6 ppp? -60.25 -23.48 64.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -71.87 -30.28 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.0 mt -76.09 -51.43 12.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.14 110.881 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.752 HD12 ' HA2' ' A' ' 79' ' ' GLY . 4.0 mm? -57.81 -24.2 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 64.25 110.916 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.11 -53.77 54.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.898 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.28 -29.53 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 3.84 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.063 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.49 20.74 39.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 71.15 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.752 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 91.69 40.63 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 43.4 112.439 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.6 103.59 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 73.41 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.629 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.0 m95 -81.68 -20.79 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -51.52 -50.7 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.35 110.905 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.56 -43.02 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 64.43 110.912 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 74' ' ' LEU . 88.6 mt -58.19 -24.5 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 50.34 111.18 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -0.4 42.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 63.51 110.894 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.61 -25.79 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.938 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.92 24.59 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.44 40.58 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.875 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.8 m-85 61.38 40.27 14.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.897 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -51.54 -30.4 20.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 73.35 111.194 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.57 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.1 pp -65.78 -34.06 77.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.917 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 t -64.13 -50.0 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.33 111.179 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.97 -29.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 64.22 110.888 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.19 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 51.13 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 61' ' ' ILE . 42.6 mm -60.98 -34.87 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 64.1 111.115 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.3 -34.65 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 72.12 110.963 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -76.25 -54.7 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.69 -55.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.088 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.45 110.855 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.819 0.342 . . . . 63.05 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -35.26 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -118.09 -28.09 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.55 110.882 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.18 -26.1 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 73.32 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.81 -31.01 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.22 110.891 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.66 -26.03 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.81 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.84 -31.76 66.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 63.41 110.952 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -63.39 -61.52 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 43' ' ' THR . 31.8 mt-30 -56.87 -25.62 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.845 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -33.46 65.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.151 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.0 mmm -55.01 -52.37 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 61.41 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.39 -26.37 65.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -123.6 66.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 62.42 111.086 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.93 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG11 ' HE1' ' A' ' 67' ' ' MET . 94.6 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.885 0.374 . . . . 51.44 111.148 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.21 -23.06 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.44 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -76.69 -34.24 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.937 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 56' ' ' THR . . . -56.1 -30.72 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.122 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' OD1' ' A' ' 63' ' ' ASP . 64.4 mt -71.07 -19.1 62.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.75 -42.19 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.4 tpt180 -77.68 -33.15 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.89 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' THR . 21.4 p -72.6 -46.9 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.05 111.13 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -55.37 -27.33 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.835 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -63.43 -40.61 97.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.78 14.59 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.35 74.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -132.75 130.85 21.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 74.31 111.139 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.02 41.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.666 2.244 . . . . 75.14 112.371 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' HD21 ' A' ' 53' ' ' LEU . 12.7 t0 -67.42 -10.96 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.87 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.05 -37.61 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 70.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.2 ptmm? -91.4 -29.09 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 72.11 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 56' ' ' THR . 97.7 m -72.65 -30.5 64.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.173 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.555 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.96 -59.98 5.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 62.43 110.851 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.4 Cg_endo -69.76 -14.47 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 70.03 112.374 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 96' ' ' ILE . 38.6 t -80.76 -56.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.138 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 pp -58.96 -41.2 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.838 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.463 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.2 ppp? -60.5 -25.22 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.837 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.4 mt -70.07 -42.58 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.866 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -74.61 -23.04 58.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 70.22 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -42.26 75.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.852 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.25 -46.01 18.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -18.47 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.52 111.059 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.86 12.21 72.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 63.14 112.449 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 102.9 40.59 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.51 112.43 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.57 103.9 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.4 110.848 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -81.39 -21.27 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.995 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -52.67 -54.58 31.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.847 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.69 -43.69 45.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.871 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.487 HG22 ' HD1' ' A' ' 89' ' ' TYR . 96.6 mt -57.12 -30.55 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 71.21 111.159 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.39 1.58 54.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.902 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 tp -62.86 -16.4 58.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.41 110.983 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.87 26.98 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.883 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.3 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.03 110.906 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.2 m-30 60.57 40.8 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -51.58 -29.93 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.141 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.539 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -54.8 -34.47 62.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.35 111.116 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.4 pp -69.59 -35.36 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.874 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.02 -51.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.42 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -74.83 -29.83 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.831 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.48 -57.32 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.121 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 38.2 mm -57.86 -46.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.32 111.138 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.44 -30.64 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 64.55 110.956 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 -54.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.52 110.932 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.6 t -63.26 -53.25 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 75.34 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.2 110.946 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.764 0.316 . . . . 72.13 111.108 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.13 -21.92 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -114.55 -22.59 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.937 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -55.61 -25.97 41.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 61.25 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -79.62 -33.17 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.902 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.82 -24.0 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.863 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm -70.72 -41.05 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.872 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.09 -25.07 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 43' ' ' THR . 16.3 mm-40 -80.94 -23.77 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 61.3 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -23.58 66.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.12 111.053 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtp -75.56 -41.72 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 72.4 110.92 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.26 -13.54 61.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.949 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 39' ' ' GLN . 8.1 t -124.01 50.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 51.12 111.165 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.902 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 70' ' ' LEU . 19.6 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.869 0.366 . . . . 71.1 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.85 -34.19 58.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.945 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -50.94 -35.15 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.856 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.58 -40.92 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 53.34 111.144 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.43 -20.42 59.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 71.11 110.897 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -65.64 -42.26 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.7 tpt180 -77.15 -32.54 56.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.892 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 66' ' ' THR . 20.9 p -73.95 -45.14 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 63.23 111.156 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -53.97 -25.9 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 74.42 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.08 -37.78 86.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 12.67 26.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 53.35 110.942 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.0 75.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.3 110.85 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 96' ' ' ILE . 39.8 mt -130.32 131.47 23.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 71.41 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 136.39 33.02 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 71.25 112.353 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.81 -9.82 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.89 -23.24 58.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -110.17 -25.41 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.848 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 56' ' ' THR . 10.8 m -76.3 -36.95 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 64.53 111.205 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.562 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.8 mmm -49.07 -56.78 13.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.542 0.687 . . . . 73.3 110.876 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.88 -16.02 36.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 72.15 112.248 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.8 t -81.64 -56.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 62.23 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.618 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -59.29 -44.55 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -58.95 -23.48 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.866 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -29.88 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.74 -48.11 27.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -60.56 -24.37 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 53.02 110.929 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.19 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.908 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.46 -29.44 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.926 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.5 5.1 28.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.147 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.14 23.62 33.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.757 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.06 40.6 6.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 61.35 112.42 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.66 103.7 10.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 71.52 110.926 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.636 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 65.9 m95 -81.22 -20.96 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 75.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -52.24 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.828 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.67 -42.57 34.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.907 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 74' ' ' LEU . 91.0 mt -58.44 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 74.52 111.138 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.6 2.57 47.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 65.01 110.935 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.2 25.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.881 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 40.91 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.883 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.5 m-85 61.13 40.28 15.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -51.39 -31.33 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.42 -36.54 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 42.53 111.137 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -65.74 -34.07 77.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 63.33 110.974 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.6 -49.6 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.147 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.88 -29.79 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 -57.0 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 61.42 111.065 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.645 HG13 HD13 ' A' ' 61' ' ' ILE . 39.9 mm -59.43 -37.92 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 63.24 111.144 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.5 -33.61 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.893 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -76.57 -55.0 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.85 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -53.6 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 40.22 111.169 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.15 110.856 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 71.03 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -30.69 71.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 61.42 110.833 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -141.3 20.01 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.882 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -88.81 -32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.882 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.29 -26.19 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.52 -33.69 46.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.891 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -54.91 -30.04 57.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.857 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -61.25 -26.93 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 43' ' ' THR . 17.5 mm-40 -60.69 -24.54 65.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.3 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.2 111.171 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mmm -73.65 -50.0 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -22.91 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 60.35 110.989 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.0 t -111.62 42.45 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 74.05 111.165 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 73.03 110.872 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG11 ' HE1' ' A' ' 67' ' ' MET . 98.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.384 . . . . 72.24 111.154 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.74 -21.34 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 63.54 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -74.52 -31.94 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 64.43 110.925 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -74.4 -28.42 61.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.078 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.29 -23.58 54.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.31 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -35.84 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.69 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -78.65 -36.27 44.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.849 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.868 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.56 -45.16 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -53.81 -27.84 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.54 -40.68 97.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 70.41 110.932 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.59 14.27 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.5 110.895 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 63.96 73.09 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.84 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.579 HD12 ' HB ' ' A' ' 56' ' ' THR . 23.7 mt -127.21 131.3 23.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.3 39.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 73.1 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.75 -10.31 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.895 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.55 -35.12 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.901 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.2 ptmm? -95.29 -30.38 13.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.953 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.563 ' CG2' HG21 ' A' ' 56' ' ' THR . 74.0 m -73.56 -30.58 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 70.43 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.583 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -51.12 -59.74 7.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 72.03 110.885 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.84 -14.53 35.96 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.6 2.2 . . . . 45.43 112.348 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 96' ' ' ILE . 24.9 t -81.18 -57.13 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.101 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.8 pp -58.19 -42.98 87.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 41.23 110.894 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.8 ptp -60.13 -23.56 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -30.14 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.834 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.3 mt -71.71 -41.17 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.3 mm? -68.99 -23.75 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 70.52 110.924 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.5 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 71.53 110.944 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.82 -31.35 51.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.24 4.79 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.149 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.59 24.59 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 74.44 112.514 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 88.91 38.58 6.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 71.25 112.506 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.76 103.97 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 62.44 110.905 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 72.3 m95 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.946 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -51.96 -52.22 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -76.71 -42.66 40.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.1 mt -58.77 -26.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.55 111.174 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.01 7.29 46.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 75.54 110.877 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.4 tt -62.36 -17.22 58.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.959 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.95 27.34 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 60.23 110.85 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.29 40.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.928 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.38 40.12 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.898 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.0 m -51.6 -31.83 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 65.21 111.128 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -52.89 -35.23 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 65.34 111.084 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.868 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -68.24 -35.28 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.3 t -61.28 -50.64 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 52.12 111.111 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.864 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.55 -57.36 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 111.083 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 69' ' ' VAL . 39.8 mm -58.55 -45.88 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.72 -31.17 70.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -76.73 -55.01 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 74.45 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 18.6 t -62.32 -54.11 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 33.45 111.088 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.889 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.818 0.342 . . . . 61.5 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.39 -24.98 59.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.871 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 t -116.12 -23.67 8.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -58.27 -22.94 54.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mp -92.77 15.48 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.88 -26.87 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.865 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.7 mmm -68.42 -25.34 64.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 63.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -54.41 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 pt20 -61.32 -30.23 70.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.5 -25.21 65.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.125 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.1 mmt -71.01 -39.62 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 63.13 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.77 -8.41 55.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.89 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.1 t -131.49 66.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.154 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.826 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG13 HD11 ' A' ' 70' ' ' LEU . 95.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.852 0.358 . . . . 63.51 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.5 mt -67.5 -29.64 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -62.25 -41.21 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.965 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.59 80.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 42.52 111.079 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.56 -19.93 65.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -67.05 -40.17 87.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.826 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.682 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.05 -34.11 57.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.92 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.973 HG22 HD13 ' A' ' 92' ' ' LEU . 38.9 p -74.76 -46.78 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 65.44 111.17 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -53.63 -27.37 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.877 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.57 -40.24 96.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.934 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 12.28 21.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.69 74.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 53.4 110.845 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 96' ' ' ILE . 34.4 mt -129.15 131.4 23.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.678 0.751 . . . . 73.53 111.127 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.57 35.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 65.2 112.321 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -67.62 -10.16 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.72 -24.25 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -111.02 -23.05 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.936 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.735 ' CG2' HG21 ' A' ' 56' ' ' THR . 27.4 m -76.43 -37.64 56.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 64.21 111.203 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.575 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 13.3 mmm -50.9 -55.87 24.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 53.04 110.896 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.74 -17.22 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.27 . . . . 61.01 112.359 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' LYS . 6.9 t -81.64 -47.79 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.097 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD11 HG13 ' A' ' 49' ' ' VAL . 2.9 pp -70.86 -38.78 73.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 51.22 110.826 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.411 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 7.3 ptp -66.04 -24.79 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.918 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.12 -35.69 81.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 6.3 mt -73.36 -41.88 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 84' ' ' ILE . 2.3 mt -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.928 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.36 -50.47 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.855 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.5 -38.52 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.52 110.835 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.9 -16.09 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 62.43 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.58 -11.23 72.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.756 . . . . 23.04 112.469 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' A' ' 74' ' ' LEU . . . 114.29 46.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 70.01 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.79 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 72.14 110.826 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.52 ' CH2' HD11 ' A' ' 74' ' ' LEU . 95.7 m95 -72.39 -26.69 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 63.52 110.924 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.3 t -53.56 -54.66 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 52.24 110.817 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -76.42 -39.31 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.577 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.5 mt -62.63 -25.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 72.04 111.143 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 1.95 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 65.32 110.974 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tp -50.78 -30.05 13.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 52.3 110.947 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -121.01 27.13 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.886 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.93 3.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 64.15 110.895 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.702 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.3 m-85 62.35 38.0 13.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.957 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 m -51.83 -33.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 61.14 111.167 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.29 -35.79 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.079 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -65.89 -34.17 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.898 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.0 t -65.3 -49.19 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -74.82 -29.82 61.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.844 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -57.38 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.137 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 61' ' ' ILE . 40.9 mm -59.02 -35.46 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.54 111.166 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.22 -34.72 74.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -76.33 -54.95 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.424 HG12 ' NZ ' ' A' ' 65' ' ' LYS . 21.6 t -59.0 -53.58 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.163 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.912 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.798 0.333 . . . . 75.11 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.46 74.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 62.14 112.49 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -111.66 141.16 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 64.11 110.885 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -95.95 126.42 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.877 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -122.75 84.37 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.854 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -141.67 161.71 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.907 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -139.78 156.64 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.834 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -142.13 155.39 45.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.814 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -152.95 146.4 24.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.59 149.4 49.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 p -168.88 132.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.845 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -95.09 -37.83 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.03 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.55 62.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 65.2 112.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -70.67 125.71 27.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 52.41 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.28 156.17 75.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 73.12 111.15 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.02 15.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 73.14 112.36 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -143.76 145.84 32.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.51 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.92 144.8 12.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 73.12 112.466 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m -109.92 74.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 51.3 110.862 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -133.8 115.86 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.85 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mtp -121.08 113.92 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 tp -160.08 137.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 p -80.24 65.31 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 53.22 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -56.56 -47.08 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 62.45 110.904 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -100.63 174.86 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.577 ' C ' HD23 ' A' ' 27' ' ' LEU . . . -129.16 -157.43 9.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.787 -0.72 . . . . 63.24 112.497 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD23 ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER 41.67 36.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.359 . . . . 70.34 110.928 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -140.36 -178.77 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.4 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -60.23 -172.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.812 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t 63.12 44.67 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.861 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.9 m -95.16 45.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.125 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -87.6 -12.12 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.21 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -113.22 -22.21 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 33.45 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.9 -26.27 46.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 62.23 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -85.46 -34.41 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.885 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -55.26 -26.39 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.843 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 ttt -55.42 -26.12 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.45 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 43' ' ' THR . 8.3 mm100 -64.6 -41.07 96.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.3 -23.71 64.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 45.22 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.3 mtt -70.9 -34.12 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.47 -0.56 42.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.933 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -140.32 66.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.173 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.83 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.08 -174.89 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.925 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.59 ' HB2' HG23 ' A' ' 49' ' ' VAL . 3.3 m-20 -139.17 -179.36 5.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 62.11 110.917 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.72 -42.09 74.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 63.24 110.952 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -32.49 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.24 110.939 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 46' ' ' ASP . 91.7 t -57.91 -29.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 71.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.27 -21.42 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.01 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.27 -44.15 97.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 64.44 111.128 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.2 -22.0 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.903 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.2 -46.11 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 65.51 110.925 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -76.51 -32.66 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.869 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 66' ' ' THR . 10.5 p -69.4 -43.98 72.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.102 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -30.49 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.875 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.03 -42.27 84.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.35 11.67 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.15 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 t0 63.73 63.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.754 HD13 HG13 ' A' ' 96' ' ' ILE . 32.8 mt -117.33 131.39 24.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 70.11 111.115 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.76 41.09 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 71.13 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.8 -10.54 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.854 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.44 -38.21 63.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -91.78 -28.66 17.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.909 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.783 HG21 HG21 ' A' ' 56' ' ' THR . 97.4 m -74.09 -30.12 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -49.72 -59.45 6.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 64.41 110.877 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.71 -13.22 34.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 63.53 112.385 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.8 t -81.4 -57.31 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.6 pp -57.77 -43.78 85.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.967 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.436 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.9 ptt? -60.05 -23.29 63.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.886 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -73.49 -30.33 63.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.1 mt -75.74 -51.53 12.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.959 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.94 -24.14 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.924 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.9 -53.72 55.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.852 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -77.33 -29.76 53.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.63 30.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.056 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.92 23.66 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 64.12 112.477 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.8 39.47 6.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 52.11 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.63 103.99 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 64.14 110.889 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 67.6 m95 -80.85 -21.0 41.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.13 -52.47 51.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.891 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.28 -42.34 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.891 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 74' ' ' LEU . 91.5 mt -58.55 -25.16 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.63 8.25 45.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.907 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.12 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.912 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.54 27.0 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.865 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.06 40.8 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.714 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.91 40.7 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 51.22 110.912 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -51.6 -30.42 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.32 111.142 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.52 -36.43 64.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.108 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.04 -34.45 77.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.942 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.27 -50.05 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.167 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.64 -29.85 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.852 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -56.99 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.129 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 61' ' ' ILE . 40.2 mm -60.0 -37.63 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.42 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.1 -33.79 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -76.48 -55.06 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 54.12 110.82 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.87 -54.3 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -50.9 -31.17 16.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 54.41 110.896 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.78 150.04 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 52.11 87.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.85 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.59 -25.57 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.35 110.905 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.76 -23.86 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -61.66 96.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.23 110.908 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -179.38 161.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.2 110.85 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -80.7 -56.37 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.19 -85.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 62.13 112.507 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 71.21 110.869 -179.78 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtm . . . . . 0 C--O 1.229 0.021 0 CA-C-O 120.82 0.343 . . . . 74.12 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.75 -108.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 74.23 112.511 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 58.34 48.23 12.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 72.43 110.84 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.2 p -135.7 129.59 32.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.937 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -127.09 167.78 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 53.51 110.816 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -100.28 148.22 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 71.1 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -110.86 161.37 15.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -163.99 -176.35 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -146.71 133.98 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.3 110.881 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -140.12 -179.71 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.835 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -97.32 156.46 16.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.848 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -113.55 167.17 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 70.05 110.855 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.62 -60.75 8.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 73.01 112.421 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp 56.93 41.19 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 72.13 110.892 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.75 156.18 62.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 71.45 111.124 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 178.84 4.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 74.32 112.35 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -170.58 129.34 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.905 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.6 82.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 45.21 112.401 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -125.22 143.6 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 72.43 110.852 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -106.81 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 ttt 55.05 51.04 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.87 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 tt -76.84 146.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.168 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -84.3 56.9 3.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.812 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -46.87 88.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 65.42 110.919 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.7 m -156.55 176.98 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.15 110.819 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.16 42.63 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.44 112.497 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 tp -116.31 -16.88 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 72.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.1 p -109.45 155.94 20.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 70.13 111.17 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m 59.86 25.72 14.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 72.05 110.881 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.1 p -59.09 -176.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 63.1 110.819 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.98 44.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 62.34 111.133 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.19 -25.89 63.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 63.15 110.878 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 m -116.56 -23.07 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.845 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.28 -45.88 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.77 15.41 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.982 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.94 -27.81 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.3 mtm -53.09 -41.68 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.8 -38.62 58.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.85 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 43' ' ' THR . 4.8 mm-40 -63.17 -22.47 66.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -22.58 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 53.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.6 mtt -76.0 -38.72 57.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.17 -18.15 60.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 52.11 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 39' ' ' GLN . 2.9 t -118.13 66.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 65.21 111.118 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -83.33 -172.07 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.835 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -86.69 149.39 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.927 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.699 ' HB2' HG23 ' A' ' 49' ' ' VAL . 4.8 m-20 -137.96 161.55 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.51 110.859 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.07 -43.91 90.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.921 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -32.64 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.937 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.699 HG23 ' HB2' ' A' ' 46' ' ' ASP . 95.8 t -58.45 -27.99 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -68.38 -21.45 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.51 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -73.45 -38.07 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.34 111.122 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.86 -21.3 56.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.75 -41.37 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.13 -33.33 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.878 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.79 HG22 HD13 ' A' ' 92' ' ' LEU . 23.0 p -74.36 -47.2 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -54.27 -27.3 34.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.36 -40.45 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.81 13.64 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 52.1 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.29 74.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.876 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.649 HD13 HG13 ' A' ' 96' ' ' ILE . 26.4 mt -129.65 131.03 23.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 70.4 111.145 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.51 40.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.757 2.305 . . . . 71.21 112.335 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.68 -10.38 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.859 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -75.73 -32.76 60.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.87 -30.95 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.32 110.881 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.724 ' CG2' HG21 ' A' ' 56' ' ' THR . 55.1 m -71.15 -30.48 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.127 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.49 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -51.16 -60.53 5.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 61.11 110.895 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.69 -14.93 37.02 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.717 2.278 . . . . 62.23 112.362 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 96' ' ' ILE . 25.1 t -80.04 -57.39 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 34.31 111.133 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 71' ' ' MET . 3.9 pp -58.67 -45.04 90.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.946 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.576 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -58.37 -25.66 62.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.83 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -67.09 -30.2 70.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 70.23 110.943 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.1 mt -75.33 -42.22 54.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.749 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -67.27 -23.93 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 63.12 110.943 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.12 -54.19 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -77.62 -30.96 52.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 62.11 110.862 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.77 3.98 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 65.11 111.12 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.4 24.26 29.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 53.25 112.414 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.749 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.27 39.0 6.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.535 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.7 103.86 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 74.01 110.852 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.423 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.9 m95 -79.92 -20.99 44.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.72 -53.26 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.812 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.4 -41.94 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.878 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 77' ' ' ALA . 97.5 mt -58.49 -26.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 75.52 111.095 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.03 8.52 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.85 -16.77 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.25 26.22 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 61.22 110.851 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.22 39.8 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.711 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.7 m-85 61.21 40.59 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 63.14 110.954 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.2 m -51.54 -33.03 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 72.24 111.126 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.86 -36.08 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.35 110.989 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -67.95 -34.59 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 74.4 110.952 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.23 -49.69 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.097 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -74.45 -29.76 61.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 53.11 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.24 -56.96 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.652 HD13 HG21 ' A' ' 69' ' ' VAL . 43.1 mm -60.36 -36.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 51.22 111.084 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.19 -34.53 73.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -76.36 -54.97 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.31 110.895 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.29 -53.65 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 74.04 111.181 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -51.18 -31.1 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -65.96 -51.92 54.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.87 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.99 113.7 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 65.43 110.906 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.44 -36.81 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.915 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.89 -40.46 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.33 110.872 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -106.77 38.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 53.14 110.875 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -178.56 139.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.799 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.44 -68.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.69 -45.44 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 74.11 112.423 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 72.44 110.903 -179.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.844 0.354 . . . . 33.32 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.34 -62.51 1.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 64.12 112.444 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -108.64 108.22 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 74.22 110.834 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.4 t -80.52 -30.96 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.853 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -154.95 146.78 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.825 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -83.61 128.5 34.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.31 110.827 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -96.63 133.83 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.72 136.93 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 70.32 110.851 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -104.07 109.08 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 72.33 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -141.39 138.84 33.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 71.32 110.841 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 m -139.17 138.49 36.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.931 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -146.58 132.38 19.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.14 110.872 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.12 85.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 42.13 112.446 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.19 -55.86 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 71.33 110.954 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.7 156.01 2.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 64.02 111.078 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.678 2.252 . . . . 53.35 112.401 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -61.88 121.16 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 72.41 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.09 153.17 22.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 61.21 112.499 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -152.08 123.26 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 74.55 110.917 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -175.64 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 75.35 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.1 ttp -123.16 131.1 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.25 149.46 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 65.42 111.197 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -59.82 -56.41 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.864 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.3 39.4 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 61.31 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 t -148.06 139.87 23.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.03 49.86 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 71.13 112.49 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.0 pt? -126.68 13.66 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 74.35 110.919 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -106.76 169.49 8.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 62.33 111.102 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t -145.37 -177.08 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 64.32 110.885 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -168.81 -178.72 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.878 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -89.86 48.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 64.2 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.84 -24.17 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 62.42 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -116.19 -22.98 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.822 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.45 -44.2 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 72.42 110.847 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.0 15.48 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.891 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.46 -23.9 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.8 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -21.34 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 62.31 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.95 -24.99 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.738 ' O ' HG22 ' A' ' 43' ' ' THR . 5.1 pp0? -54.38 -32.05 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.26 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 42.2 111.092 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.7 mtp -79.66 -33.83 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 72.42 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.76 -6.68 59.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 39' ' ' GLN . 6.9 t -128.18 52.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 72.22 111.21 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -52.38 117.65 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 149.42 4.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 65.2 110.879 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.83 163.17 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.41 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.96 -42.05 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.858 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.672 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.69 -31.26 71.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 63.24 110.875 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG23 ' HD2' ' A' ' 48' ' ' LYS . 36.8 t -62.4 -31.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.122 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.56 -32.43 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.912 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -51.07 -34.11 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.61 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.62 -42.23 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.45 111.089 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.62 -20.41 55.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.928 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.58 -40.84 93.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.22 -33.3 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.885 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 66' ' ' THR . 6.0 p -74.18 -43.75 56.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 53.44 111.13 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -56.5 -26.3 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.869 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -65.24 -39.79 93.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.916 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.97 14.01 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.854 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.23 73.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.914 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.464 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.8 mt -130.13 131.2 23.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.692 0.758 . . . . 72.45 111.15 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.78 138.8 38.61 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 61.41 112.348 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.78 -10.22 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.928 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.36 -37.72 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.949 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.7 ptmm? -91.46 -30.21 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.841 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.745 HG21 HG21 ' A' ' 56' ' ' THR . 99.0 m -75.03 -30.31 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.076 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.13 -59.47 6.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 54.33 110.85 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.0 Cg_endo -69.71 -13.23 34.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 74.23 112.362 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 65' ' ' LYS . 42.2 t -81.31 -57.36 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.115 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.75 -43.58 85.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp -60.19 -23.28 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.883 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -30.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.936 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.3 mt -75.88 -51.57 12.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.783 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.12 -24.16 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 54.15 110.922 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.36 -53.82 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.835 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.04 -30.34 55.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.96 4.05 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.12 111.089 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.27 23.36 33.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 41.33 112.518 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.783 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.85 40.49 5.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 53.31 112.495 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.79 106.26 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 72.32 110.895 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.61 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.4 m95 -83.92 -20.19 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 t -52.82 -48.01 67.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 64.03 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -82.21 -42.71 18.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.472 . . . . 63.55 110.964 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.561 HD12 HD13 ' A' ' 74' ' ' LEU . 93.3 mt -58.41 -26.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.097 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.02 7.41 46.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.969 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.9 tt -63.26 -16.23 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.906 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.26 27.44 3.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.843 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.12 41.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.893 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.723 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.0 m-85 60.74 40.56 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 70.24 110.884 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -51.73 -30.42 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 70.1 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.1 -35.37 64.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 73.54 111.07 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.22 -34.34 76.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.29 -50.59 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.108 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -74.77 -29.84 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 54.15 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -70.36 -57.24 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.094 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 69' ' ' VAL . 39.7 mm -58.8 -45.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.134 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.66 -31.01 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.928 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -76.61 -55.14 5.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.8 t -62.38 -53.64 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.173 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -50.81 -31.06 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.827 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -58.88 -51.14 71.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.885 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -119.02 120.23 36.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.821 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -116.54 -47.17 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -78.06 -24.8 47.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.937 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -57.86 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 70.22 110.924 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -129.41 123.32 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 62.3 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -120.39 49.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 72.2 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.16 -138.74 7.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 61.13 112.501 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 65.41 110.9 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 73.51 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.42 -179.36 22.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 61.11 112.493 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -127.74 143.52 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 65.11 110.867 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.8 p -136.6 126.6 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.903 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -70.55 163.65 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 72.02 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -104.35 173.72 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 74.03 110.913 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -151.02 -177.97 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 42.22 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -152.58 128.15 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.83 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -152.27 142.99 22.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.838 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -166.47 127.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -121.31 143.32 49.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -163.11 126.04 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.785 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.44 157.56 9.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 61.25 112.462 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -126.73 161.96 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 73.42 110.933 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.41 156.22 36.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.65 0.738 . . . . 53.44 111.14 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.96 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 54.35 112.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -138.81 158.45 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 73.22 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.54 150.41 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 73.14 112.477 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 t -82.74 67.05 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 62.04 110.842 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -104.61 93.19 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 58.9 ttp -99.67 147.89 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.866 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.2 tp -172.72 148.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 54.24 111.051 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -77.57 61.16 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 54.11 110.834 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.9 45.87 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 72.15 110.86 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -54.82 121.45 8.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.891 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.17 98.18 0.94 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 61.31 112.442 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 103' ' ' ASN . 3.6 tt -109.99 -8.77 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 71.52 110.981 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -160.21 176.14 12.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.095 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -134.55 34.59 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.11 110.848 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -114.16 -171.3 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m -92.14 47.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.11 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -76.57 -23.42 53.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.815 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -115.44 -23.34 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.92 -28.39 64.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.05 15.42 18.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.837 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.1 mmm -53.7 -38.49 64.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.01 -24.93 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.936 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.743 ' O ' HG22 ' A' ' 43' ' ' THR . 21.2 mm-40 -88.17 -23.79 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.886 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.13 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.43 111.073 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtp -76.19 -40.84 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.68 -16.25 61.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.934 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.6 t -119.96 47.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.13 116.37 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 62.53 110.894 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 163.4 2.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.853 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.679 ' HB2' HG23 ' A' ' 49' ' ' VAL . 41.7 m-20 -147.95 170.02 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.21 110.79 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -62.61 -42.73 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 72.44 110.911 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -32.6 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.925 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG23 ' HB2' ' A' ' 46' ' ' ASP . 92.4 t -58.96 -29.33 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 54.35 111.123 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.39 -25.41 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -64.08 -38.5 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.9 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 70.34 111.028 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.09 -21.22 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.29 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 54.15 110.898 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.711 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.61 -34.66 53.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.813 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.731 HG22 HD13 ' A' ' 92' ' ' LEU . 7.3 p -75.2 -44.81 44.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -54.47 -27.11 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 70.42 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.4 -39.45 93.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.856 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.57 13.23 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.12 74.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 43.34 110.872 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' HB ' ' A' ' 56' ' ' THR . 21.0 mt -129.45 131.07 23.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 52.53 111.182 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 139.63 40.83 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.705 2.27 . . . . 75.4 112.349 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.54 -10.54 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 41.31 110.872 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -75.99 -32.11 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 65.43 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.99 -29.05 13.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.881 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.718 HG21 HG21 ' A' ' 56' ' ' THR . 98.0 m -74.34 -30.9 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.562 ' CE ' HD21 ' A' ' 70' ' ' LEU . 1.3 mmt -51.08 -59.03 8.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.507 0.67 . . . . 43.32 110.874 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.99 36.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 71.03 112.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 65' ' ' LYS . 25.1 t -80.79 -48.21 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 65.11 111.067 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 ' CE ' ' A' ' 67' ' ' MET . 2.6 pp -70.27 -37.76 74.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 70.45 110.914 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.16 -22.95 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.888 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.937 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 3.8 mt -83.69 -44.72 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -69.8 -23.8 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.54 110.86 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.24 -51.61 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 70.21 110.833 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.16 -39.94 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.03 110.916 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.49 -14.39 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 41.13 111.109 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.88 -9.22 77.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 70.51 112.473 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.42 49.31 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 52.33 112.554 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 101.89 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.774 0.321 . . . . 61.04 110.842 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -72.57 -28.57 62.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -54.32 -44.49 72.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 62.24 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.87 -41.76 13.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.549 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.4 mt -61.21 -26.97 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 62.25 111.155 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.17 2.25 42.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.893 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 tt -51.03 -30.01 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 65.54 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -123.52 28.25 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.843 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.0 41.1 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.02 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.703 ' CB ' HD23 ' A' ' 92' ' ' LEU . 11.3 m-85 63.48 38.1 10.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.922 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m -52.26 -33.13 40.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 75.02 111.151 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.48 -35.46 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 63.04 111.079 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.13 -34.08 75.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 73.5 110.91 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.97 -49.55 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.148 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.88 -29.94 61.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.872 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 -57.38 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 61.11 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.552 HD13 HG21 ' A' ' 69' ' ' VAL . 40.3 mm -58.85 -38.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.119 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.44 -33.11 72.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.1 t -76.56 -55.05 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 72.53 110.815 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.32 -53.73 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.136 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -50.69 -31.67 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 72.43 110.909 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' GLU . 0.7 OUTLIER -95.09 -173.67 3.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 62.22 110.808 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ASP . 11.6 pt-20 37.36 65.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 53.42 110.866 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.519 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 m-80 -88.79 -25.6 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 71.51 110.887 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -27.88 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 44.21 110.906 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -85.47 72.42 10.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.941 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -133.32 77.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 62.42 110.83 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 49.24 46.93 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 61.43 110.841 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -98.65 169.82 23.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 54.41 112.483 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 54.33 110.885 -179.734 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 65.53 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.87 147.35 4.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 41.43 112.526 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -52.98 119.32 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 74.41 110.889 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t -168.34 128.6 1.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 44.11 110.815 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 t60 56.14 51.77 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.846 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -84.44 -26.09 28.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 61.72 47.74 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 65.22 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -150.76 143.34 24.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.813 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -133.76 150.01 51.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 65.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -76.25 100.67 5.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 61.15 110.902 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -82.74 154.75 24.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.829 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -147.96 150.16 33.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.51 110.902 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.37 112.3 4.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.764 . . . . 53.54 112.438 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 tp -72.3 128.62 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 75.32 110.925 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.71 156.13 80.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 62.44 111.224 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 63.35 112.368 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -125.87 70.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.846 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.26 171.69 24.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.719 . . . . 55.52 112.507 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -99.35 174.99 6.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.421 . . . . 73.05 110.828 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.33 37.89 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 74.42 110.869 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.2 tpt -112.16 110.85 21.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 52.45 110.84 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.9 tt -134.59 137.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -78.82 63.57 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 75.35 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -52.77 -32.38 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.37 149.28 48.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 52.04 110.849 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.94 -41.65 0.16 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.437 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 pt? -105.02 11.95 32.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 73.54 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -83.61 105.71 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 44.03 111.117 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m 55.28 44.63 27.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.4 m -127.45 132.0 50.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 60.02 110.875 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 36.94 44.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 72.15 111.104 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -73.19 -25.79 60.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.877 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -116.31 -25.09 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 20.33 110.815 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.93 -25.94 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -52.77 -33.92 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.93 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -55.22 -26.56 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.859 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mmt -55.2 -29.33 57.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 34.33 110.886 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -77.19 -26.65 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.896 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.717 ' O ' HG22 ' A' ' 43' ' ' THR . 28.5 mm-40 -75.51 -24.23 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.936 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.5 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.177 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.2 mmm -76.59 -44.02 36.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.842 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.76 -19.77 64.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.05 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.1 t -114.4 43.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -51.76 118.06 3.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 54.31 110.856 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 173.39 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 75.22 110.875 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.31 176.47 8.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.836 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.01 -53.56 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 75.2 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.624 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -57.14 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.936 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG23 ' HD2' ' A' ' 48' ' ' LYS . 53.0 t -58.87 -33.34 49.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 62.45 111.148 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -58.84 -33.03 69.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 61.31 110.935 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -51.19 -34.68 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.885 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.22 -42.03 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 55.02 111.108 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.41 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 70.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.35 -39.97 89.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 75.55 110.915 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.751 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.5 tpt180 -77.4 -33.49 55.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 70.52 110.874 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.5 p -74.7 -44.35 50.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.32 111.153 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -55.68 -26.66 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 65.21 110.862 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.97 -39.87 94.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.937 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.44 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.35 73.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.849 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.539 HG23 ' HD3' ' A' ' 65' ' ' LYS . 28.5 mt -128.43 131.05 23.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 70.44 111.085 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 138.85 39.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 70.01 112.351 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -67.77 -10.33 51.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 75.43 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.29 -36.49 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.867 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -92.5 -30.25 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.904 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 96.2 m -73.43 -30.57 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 42.51 111.108 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -50.49 -59.75 6.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 64.42 110.831 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.78 -14.42 35.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 75.05 112.391 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 65' ' ' LYS . 35.3 t -81.23 -57.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.123 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.39 -43.19 83.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.9 ptm -60.69 -23.71 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.869 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -30.22 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.8 mt -72.09 -49.61 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.41 -23.99 67.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 64.54 110.939 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.11 -53.99 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -77.4 -30.9 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 4.23 31.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.045 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.44 23.98 29.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 54.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.74 41.24 5.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 53.24 112.441 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.48 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 64.15 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.568 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 73.4 m95 -82.73 -20.51 35.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.902 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -52.74 -53.27 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 60.41 110.895 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -76.05 -44.38 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.915 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.498 HG22 ' HD1' ' A' ' 89' ' ' TYR . 92.7 mt -56.37 -31.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.126 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.59 -10.04 38.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.909 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -51.79 -29.92 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.968 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.7 23.39 12.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.43 40.36 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.942 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.73 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.4 m-85 61.12 40.55 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.942 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 m -51.39 -32.57 26.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 44.32 111.133 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.17 -36.35 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.31 111.123 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.886 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.88 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.95 -29.75 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.851 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.15 -57.42 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.548 HD13 HG21 ' A' ' 69' ' ' VAL . 38.3 mm -58.5 -35.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.171 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.43 -33.99 73.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.914 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -76.33 -54.94 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 71.32 110.931 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.6 -52.7 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 53.31 111.088 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.77 -31.41 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.56 -51.81 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.905 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -121.92 120.39 34.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 52.51 110.895 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.99 -23.81 11.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.845 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -40.16 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 74.03 110.858 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 49.87 30.7 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 t -179.72 141.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.807 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.85 -176.13 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.515 . . . . 73.34 110.844 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.99 -100.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.717 . . . . 75.21 112.529 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 63.32 110.822 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.795 0.331 . . . . 55.12 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.24 -163.2 26.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 65.31 112.502 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -75.72 168.44 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 50.33 110.882 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.8 m -144.85 -177.96 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.802 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -137.34 168.3 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 75.33 110.86 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 61.69 47.12 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.803 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -69.62 141.21 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -127.5 30.64 5.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 55.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -64.19 160.01 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.904 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -132.39 179.93 5.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 p -139.68 122.43 16.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -102.13 -50.38 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 63.24 110.879 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.19 108.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 64.32 112.55 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -149.81 147.39 27.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 74.41 110.921 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.45 156.2 77.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 63.51 111.111 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 177.35 5.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.636 2.224 . . . . 71.24 112.344 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -125.38 122.53 37.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.76 -151.75 18.68 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 63.24 112.465 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -161.99 111.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.378 . . . . 70.22 110.843 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -105.31 -31.52 9.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.8 tpt -107.72 112.17 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.13 110.883 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 tp -121.22 142.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 63.43 111.081 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -78.6 60.11 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 28' ' ' THR . 2.2 tp -69.1 -43.3 74.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.893 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -59.23 133.12 55.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 41.43 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.86 -52.97 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 73.11 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.42 11.08 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.391 . . . . 72.42 110.93 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 24' ' ' LEU . 22.6 p -73.14 159.53 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.157 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -65.58 157.69 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.919 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -124.37 -169.87 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.918 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -94.06 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 72.23 111.141 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.48 -23.38 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m -114.24 -21.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.928 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -58.27 -24.72 60.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 62.24 110.907 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.0 15.46 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.26 1.43 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.76 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -40.28 29.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.881 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.66 -25.95 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 73.55 110.918 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.72 ' O ' HG22 ' A' ' 43' ' ' THR . 17.1 mt-30 -79.96 -23.76 41.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.892 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.85 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.108 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.44 -32.5 48.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 65.04 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.96 6.06 34.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 60.5 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 39' ' ' GLN . 7.3 t -142.73 52.2 1.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.122 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -51.87 117.86 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.934 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.67 166.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 54.22 110.889 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.582 ' HB2' HG23 ' A' ' 49' ' ' VAL . 13.4 m-20 -131.64 -179.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.86 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.24 -41.66 76.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.01 110.908 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -32.61 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.86 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 46' ' ' ASP . 98.9 t -57.14 -28.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 61.15 111.173 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.31 -24.49 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.88 -38.58 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.954 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.552 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 43.32 111.093 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.93 -21.12 57.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.893 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.42 -43.08 91.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.52 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.729 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.0 tpt180 -77.29 -32.69 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.53 110.873 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 66' ' ' THR . 17.7 p -73.12 -46.69 49.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.155 -0.475 . . . . 43.23 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -56.06 -27.05 51.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.77 -40.5 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.914 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.22 15.55 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.94 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 64.32 74.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.892 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' ILE . 17.4 mt -133.98 124.58 17.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 64.03 111.16 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.19 29.89 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.726 2.284 . . . . 74.23 112.366 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -19.1 37.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 65.15 110.802 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.37 -42.58 98.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.33 110.844 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.654 ' O ' HG23 ' A' ' 69' ' ' VAL . 6.5 ptmm? -89.54 -29.43 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.33 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 56' ' ' THR . 88.4 m -73.04 -30.52 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.095 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.495 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -49.57 -60.06 5.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 71.35 110.863 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.72 -12.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 43.11 112.364 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.1 t -81.45 -57.42 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.121 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.79 -43.77 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.876 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.6 ptm -60.08 -23.41 63.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.877 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -30.39 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.875 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.6 mt -75.67 -51.59 12.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 71.02 110.941 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.764 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.8 mm? -60.47 -24.18 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 42.4 110.948 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.13 -53.74 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.944 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.37 -29.83 53.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 75.5 110.905 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.33 4.57 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 52.41 111.078 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.99 31.89 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 42.1 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.764 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.45 39.33 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.823 -0.703 . . . . 73.12 112.506 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.69 104.94 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 74.55 110.818 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.552 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.4 m95 -81.33 -20.71 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 65.4 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -52.42 -52.87 51.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 65.31 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -76.81 -42.26 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.558 HD12 HD13 ' A' ' 74' ' ' LEU . 91.4 mt -58.55 -25.45 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 75.3 111.139 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.74 7.97 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.807 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.3 tt -62.87 -16.73 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 44.44 110.89 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -134.75 27.46 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 52.21 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.19 40.92 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 71.14 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.721 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.1 m-85 61.25 40.32 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.848 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -51.98 -29.53 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 75.5 111.164 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -55.64 -35.03 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 64.32 111.099 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.3 pp -68.42 -34.95 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 70.24 110.852 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.89 -50.9 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 60.32 111.188 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.08 -29.83 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.25 -57.26 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 62.44 111.18 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.765 HG13 HD13 ' A' ' 61' ' ' ILE . 41.3 mm -59.2 -46.75 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -60.81 -29.89 69.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 70.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.6 t -76.3 -54.38 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.832 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 95' ' ' ALA . 14.5 t -64.54 -52.07 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.139 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.65 -31.47 16.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.58 -64.57 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.882 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -107.51 123.07 47.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 53.24 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -120.65 -33.85 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 65.24 110.859 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -99.56 -25.69 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.887 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -77.3 62.81 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -179.1 160.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 53.21 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -136.94 -176.12 4.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.905 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 110.97 -167.63 12.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.463 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 64.31 110.846 -179.73 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 mtp . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.941 0.4 . . . . 75.45 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.95 -92.38 2.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -107.97 141.13 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 60.03 110.793 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -70.35 123.93 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.036 -0.529 . . . . 62.54 110.818 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -133.61 155.56 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.32 110.817 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -134.06 144.78 48.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 70.3 110.822 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -82.05 88.67 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.823 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -109.35 -27.93 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -107.69 165.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.878 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -86.8 74.37 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.819 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 p -77.99 159.76 28.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.808 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 m 61.34 44.83 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 71.12 110.84 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.75 112.07 3.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 55.54 112.479 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.14 165.54 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.373 . . . . 71.31 110.879 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.48 156.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 60.13 111.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 174.27 9.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 75.24 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -120.92 95.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.9 98.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 60.31 112.491 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -175.46 159.03 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 75.13 110.864 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -52.06 125.5 15.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.796 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 mtt -104.66 -54.07 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 62.2 110.877 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.59 138.14 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.15 111.137 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 t -83.85 65.27 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 70.31 110.816 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.85 -26.85 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.932 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -94.97 100.99 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.813 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.61 103.86 1.5 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 73.14 112.543 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.5 pt? -113.94 11.95 17.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 74.42 110.863 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.6 p -74.9 175.98 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.33 111.222 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -59.11 -176.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 73.23 110.885 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.2 t -107.79 172.73 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.857 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.8 m 37.1 43.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 73.21 111.089 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.74 -21.67 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -116.09 -17.88 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.9 -25.31 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.865 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -51.83 -30.01 21.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -31.0 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.882 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 23.4 mmm -52.03 -31.02 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 32.23 110.871 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.44 -47.67 66.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 65.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -73.02 -24.12 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 45' ' ' LYS . . . -61.15 -22.83 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 61.02 111.109 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.03 -49.16 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.3 -22.05 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.91 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -103.31 -22.37 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.13 111.185 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 64.61 111.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.53 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.686 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 3.8 mppt? -51.68 163.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 63.44 110.932 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -145.98 148.13 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.916 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HA ' HD12 ' A' ' 50' ' ' LEU . 18.5 pt-20 -57.81 -47.13 83.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.834 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.811 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -51.78 -30.5 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.876 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.811 HG23 ' HD2' ' A' ' 48' ' ' LYS . 5.2 t -78.05 -39.17 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.18 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 47' ' ' GLU . 18.8 mt -62.98 -24.62 67.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.964 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -61.04 -32.47 72.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 64.41 110.847 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 56' ' ' THR . . . -68.66 -36.07 78.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.02 111.127 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 66' ' ' THR . 81.8 mt -59.09 -21.38 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 63.53 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.23 -40.98 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 75.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.78 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.8 tpt180 -77.04 -33.18 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.897 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 66' ' ' THR . 6.1 p -74.45 -43.22 57.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 40.44 111.136 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -57.94 -26.38 62.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -65.37 -40.05 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.837 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.51 14.34 17.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.856 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.39 74.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.859 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 27.8 mt -130.64 130.62 22.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 63.22 111.107 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.35 39.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.241 . . . . 75.53 112.283 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -67.75 -10.38 52.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.873 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.68 -40.34 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -90.25 -27.5 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.912 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 56' ' ' THR . 91.6 m -73.1 -30.45 63.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.103 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.5 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.68 -59.9 6.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 74.1 110.869 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.1 Cg_endo -69.7 -14.78 36.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.744 2.296 . . . . 51.41 112.373 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 65' ' ' LYS . 33.4 t -81.08 -56.95 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.189 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 pp -58.07 -43.04 86.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.893 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.3 ptm -60.21 -23.55 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.82 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -71.6 -29.64 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.04 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.541 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.9 mt -72.21 -40.16 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 54.4 110.916 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.2 mm? -70.28 -23.18 62.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.919 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -60.99 -50.65 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -77.07 -42.92 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -74.43 -2.82 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.084 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 61.9 22.6 62.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.74 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 94.59 36.9 5.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 61.41 112.554 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.84 106.35 13.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 55.15 110.917 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 76.0 m95 -80.8 -22.68 39.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -51.88 -52.42 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.877 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.64 -42.99 40.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 65.25 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 96.0 mt -58.36 -24.62 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.488 . . . . 64.03 111.11 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.96 -0.34 42.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.857 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.73 -25.5 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.34 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.05 26.39 7.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.89 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.78 42.95 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.695 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.3 m-30 60.76 41.92 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -55.94 -29.94 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 63.15 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -54.72 -36.73 65.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.09 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.78 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -68.05 -34.15 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 43.53 110.878 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.04 -49.03 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.25 111.133 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.4 -29.82 61.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.854 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 -56.97 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 41.8 mm -59.62 -40.19 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.22 111.134 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.61 -32.61 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 64.43 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -76.5 -54.82 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.826 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.11 -54.07 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.54 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -50.95 -31.0 16.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.53 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.9 -68.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.1 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -115.83 136.88 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.899 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -135.92 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -92.99 -10.91 34.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 71.1 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -71.59 -9.25 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 60.45 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 t 51.89 56.43 7.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 65.34 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -118.18 -29.71 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -128.2 128.09 5.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.471 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 73.22 110.862 -179.716 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 72.52 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.59 121.35 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 70.21 112.537 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -71.23 156.77 39.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 74.23 110.852 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t -117.67 115.71 25.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.864 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -89.55 174.35 7.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 70.05 110.869 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.71 156.38 25.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 74.04 110.893 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -122.03 179.29 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 62.35 110.815 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.15 41.85 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 61.22 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -61.86 134.25 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 55.15 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -125.89 126.79 44.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.888 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -108.67 121.32 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.853 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -80.72 163.33 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 63.12 110.842 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.76 129.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.791 -0.719 . . . . 53.11 112.481 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -163.74 119.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 74.43 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.48 156.19 78.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.675 0.75 . . . . 71.43 111.106 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 102.92 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.726 2.284 . . . . 63.03 112.357 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.08 103.95 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.829 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.45 -166.41 30.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 52.43 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 m -147.69 133.63 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 60.45 110.888 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -141.53 139.0 33.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.839 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mmt 58.68 54.35 5.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.928 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.9 tp -93.05 148.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 54.13 111.145 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 t -54.62 -26.08 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.786 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.32 48.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.947 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -70.79 127.9 34.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.913 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.9 57.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 28' ' ' THR . 4.1 pp -99.39 -169.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 64.03 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.46 ' N ' HD12 ' A' ' 27' ' ' LEU . 22.2 p -45.92 109.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 65.24 111.151 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -51.93 166.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.845 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.4 t -135.59 -171.3 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.87 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 37.01 44.08 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.41 -27.99 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.939 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -132.25 15.49 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 51.35 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -88.89 -25.66 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.851 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.63 15.48 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.898 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -79.46 -28.3 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.844 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.3 mtm -63.43 -20.43 65.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.874 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -51.76 -34.08 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 65.44 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -57.56 -33.3 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.36 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.079 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.0 mmm -54.36 -49.11 70.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.87 -18.27 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.992 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -131.46 66.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 111.151 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -71.5 -171.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.947 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.59 167.94 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 70.23 110.938 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.24 164.58 16.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.845 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.86 -43.38 68.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.73 -30.88 71.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 51.32 110.893 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.622 HG23 ' HD2' ' A' ' 48' ' ' LYS . 55.2 t -59.26 -33.28 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.01 111.064 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.66 -31.34 69.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 73.5 110.925 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -50.63 -33.44 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 72.52 110.871 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.42 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 74.21 111.069 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.88 -19.79 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.892 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -66.13 -40.36 90.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.88 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.75 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.33 -33.58 55.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.876 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.818 HG22 HD13 ' A' ' 92' ' ' LEU . 17.5 p -74.51 -46.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 53.04 111.131 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -54.19 -27.29 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.89 -40.69 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.945 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 14.86 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.95 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.27 73.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.14 110.937 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.455 HD12 ' HB ' ' A' ' 56' ' ' THR . 20.0 mt -130.25 131.01 23.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 71.3 111.072 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 138.77 38.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 65.43 112.349 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -67.71 -10.31 51.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.6 -37.36 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.869 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 69' ' ' VAL . 9.1 ptmm? -92.38 -30.39 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 HG21 ' A' ' 56' ' ' THR . 99.4 m -74.78 -30.73 61.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.245 -0.434 . . . . 64.53 111.136 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.55 ' CE ' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -50.62 -59.16 7.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 73.24 110.855 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.75 -15.41 37.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 52.23 112.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 96' ' ' ILE . 32.1 t -80.71 -56.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.692 ' O ' HD12 ' A' ' 74' ' ' LEU . 2.8 pp -56.86 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.34 110.887 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 21.2 ptm -68.92 -25.22 64.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.824 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -62.77 -30.77 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 72.53 110.865 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 91' ' ' ALA . 1.8 mt -81.12 -49.77 10.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.912 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.1 mt -66.34 -22.37 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.941 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.75 -52.77 18.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 63.41 110.884 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.66 -38.4 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 72.23 110.851 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 -9.75 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.04 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.32 -12.35 62.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 52.44 112.499 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.02 46.51 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 60.13 112.531 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.3 100.7 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 71.53 110.843 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.577 ' CE2' HD21 ' A' ' 74' ' ' LEU . 94.9 m95 -69.01 -30.57 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.23 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -54.74 -54.81 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.789 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.51 -37.64 65.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.959 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.498 HD13 ' HG ' ' A' ' 74' ' ' LEU . 92.8 mt -66.18 -24.75 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 70.55 111.168 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -1.22 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.26 -30.97 12.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 43.1 110.848 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -119.53 26.1 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.55 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.49 43.97 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.846 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.722 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 61.64 33.97 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.962 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.4 m -51.65 -33.71 34.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 75.34 111.085 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' HB3' HD13 ' A' ' 73' ' ' LEU . . . -51.04 -36.15 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 65.13 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.818 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -66.32 -35.62 80.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 54.31 110.845 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.7 t -62.62 -49.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 62.51 111.09 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.04 -30.98 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.89 -57.57 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 33.01 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.643 HD13 HG21 ' A' ' 69' ' ' VAL . 35.8 mm -56.58 -46.64 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.095 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -60.74 -30.53 70.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.886 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -76.5 -55.38 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.5 t -62.48 -51.37 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 74.1 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.95 -31.38 17.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.812 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -53.94 -46.81 71.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.828 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.62 125.66 29.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.851 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -115.49 -52.88 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -95.32 -30.92 13.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -52.05 157.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t 58.51 63.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.851 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.48 144.05 42.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 40.52 110.852 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.52 -77.07 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 72.25 112.537 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 72.42 110.856 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.779 0.323 . . . . 74.13 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.84 149.71 6.79 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.81 -0.71 . . . . 64.22 112.571 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -149.71 135.36 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 71.25 110.854 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 m -142.8 141.55 31.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.839 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -113.31 150.05 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.05 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -126.53 149.72 49.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 71.03 110.848 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -139.01 119.41 13.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.2 110.867 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -109.71 145.03 37.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.877 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -113.24 141.47 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.79 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.17 85.41 6.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.35 110.922 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 143.59 51.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.846 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -71.41 165.84 22.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 64.13 110.845 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.91 -132.27 11.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 70.32 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 54.21 37.75 27.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.33 . . . . 71.41 110.861 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.58 156.02 2.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 71.34 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.713 2.275 . . . . 74.21 112.279 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 162.83 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.933 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.2 106.24 1.94 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 53.34 112.499 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 p -128.51 141.76 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 53.45 110.871 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -122.3 30.42 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.17 155.53 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 75.54 110.843 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 ' CG2' HD23 ' A' ' 24' ' ' LEU . 10.8 tp -166.94 145.36 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.097 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -78.46 59.79 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 54.12 110.83 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD23 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -80.22 -60.03 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.892 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.1 t -94.78 55.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.901 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.71 ' O ' HG23 ' A' ' 28' ' ' THR . . . -125.52 75.03 0.41 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 64.34 112.478 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER 41.66 36.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.386 . . . . 73.53 110.899 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 26' ' ' GLY . 37.7 p -126.81 -37.0 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -170.22 141.41 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.864 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -69.06 -173.69 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 74.25 110.932 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.6 m -98.0 38.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 62.44 111.167 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -73.65 -23.9 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 m -113.64 -21.91 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.44 -26.3 41.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 63.12 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.74 -25.84 66.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 70.12 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -53.0 -29.11 27.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.893 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 ttt -52.67 -29.39 26.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -56.18 -25.4 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 43' ' ' THR . 19.8 mt-30 -54.48 -33.76 60.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 54.35 110.914 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.55 67.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 53.04 111.162 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.39 -44.63 28.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.02 -30.16 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 71.51 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 39' ' ' GLN . 11.2 t -99.72 30.93 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.058 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -102.86 0.06 32.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.816 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 172.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 60.54 110.908 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -142.75 178.05 7.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 71.33 110.891 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.12 -41.91 81.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 72.15 110.918 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -32.59 69.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 72.34 110.801 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.741 HG11 ' HE1' ' A' ' 67' ' ' MET . 84.3 t -57.28 -29.18 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.9 -21.32 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.888 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -71.01 -37.05 72.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.864 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 56' ' ' THR . . . -63.1 -41.97 99.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 40.41 111.076 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.98 -23.65 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.64 -52.39 65.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.697 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.49 -32.27 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 74.14 110.867 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 66' ' ' THR . 9.4 p -74.26 -31.33 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 54.23 111.118 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -68.07 -35.83 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.868 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.31 -36.03 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.829 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.1 mt -87.79 6.57 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.898 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 65.43 75.88 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.804 HD13 HG13 ' A' ' 96' ' ' ILE . 22.3 mt -137.37 131.02 17.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.65 0.738 . . . . 70.01 111.083 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 139.72 40.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -67.47 -10.74 54.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.08 -31.75 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.926 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -99.57 -25.11 14.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.808 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.736 HG21 HG21 ' A' ' 56' ' ' THR . 87.7 m -74.99 -30.41 61.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.741 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.69 -58.98 7.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 73.43 110.882 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.2 Cg_endo -69.78 -15.15 36.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 2.233 . . . . 74.41 112.316 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 65' ' ' LYS . 41.7 t -80.81 -50.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.182 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.635 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.3 pp -69.28 -39.6 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.4 ppp? -68.67 -23.21 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.9 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -65.4 -30.56 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 mt -83.49 -43.08 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.933 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' HD13 ' A' ' 84' ' ' ILE . 1.4 mt -71.26 -23.87 62.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.909 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.86 -52.54 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -77.28 -39.26 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.39 -12.47 60.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 61.33 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 -9.51 71.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 73.01 112.515 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 74' ' ' LEU . . . 111.02 50.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.15 112.481 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.35 101.98 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 72.13 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -72.58 -27.84 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.23 110.928 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 t -55.89 -44.09 77.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.31 110.839 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.06 -37.89 17.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 75.52 110.936 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.547 HD13 ' HG ' ' A' ' 74' ' ' LEU . 90.9 mt -65.99 -26.0 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.52 111.113 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -0.64 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.949 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -50.09 -31.51 13.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -119.35 26.64 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.811 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.95 40.96 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.911 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.685 ' CB ' HD23 ' A' ' 92' ' ' LEU . 12.8 m-85 63.43 37.62 10.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -51.5 -33.33 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.33 -35.94 40.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.076 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.697 HD21 ' CG ' ' A' ' 55' ' ' ARG . 1.2 pp -66.56 -33.97 76.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -65.1 -49.08 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.17 -30.06 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.3 -57.39 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 63.54 111.127 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 61' ' ' ILE . 41.0 mm -58.41 -36.32 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.16 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 t -76.43 -54.93 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 65.34 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.88 -54.9 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 62.23 111.112 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -50.91 -31.01 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.02 110.941 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -53.24 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.868 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -125.69 122.42 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.952 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -115.89 -22.25 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.42 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 -6.07 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.936 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 54.36 92.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.883 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 m -159.01 -175.85 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 62.54 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -116.29 85.08 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 60.12 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.17 -98.75 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 41.11 112.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 45.41 110.832 -179.743 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 mtp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.863 0.363 . . . . 73.34 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.39 111.86 0.46 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.707 -0.758 . . . . 55.13 112.488 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -132.37 108.96 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 44.33 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 t -154.19 149.3 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -81.51 112.29 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.891 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -118.38 126.34 51.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -109.29 149.72 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -128.93 135.28 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.835 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -105.09 176.86 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -125.73 149.12 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -106.97 149.96 26.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 51.4 110.822 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -128.65 141.27 51.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.21 109.95 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.446 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' C ' HG13 ' A' ' 15' ' ' VAL . 16.9 tp -113.77 -60.23 1.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.819 0.343 . . . . 70.4 110.96 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG13 ' C ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER 57.17 160.7 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.703 0.763 . . . . 64.11 111.065 179.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 113.54 3.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.24 . . . . 73.52 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -104.03 -74.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.851 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.79 143.09 11.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 72.15 112.492 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 m -94.05 -36.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 71.21 110.854 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.59 177.63 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.72 148.26 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 63.24 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -134.81 154.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 62.24 111.164 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 m -53.26 -28.5 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.867 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.54 -27.72 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.891 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.7 p -135.11 129.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.63 86.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 45.32 112.527 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 tp -116.44 -16.8 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 75.42 110.847 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 p -101.47 165.77 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.41 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -106.38 -170.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 72.04 110.93 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 m -111.73 177.83 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.41 110.848 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.81 45.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.527 . . . . 70.31 111.125 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.97 -25.13 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.902 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 t -116.03 -23.53 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 61.24 110.859 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -58.79 -23.31 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.881 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.69 15.5 14.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -77.74 -25.97 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.861 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.14 -43.66 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -54.19 -35.4 62.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.66 ' O ' HG22 ' A' ' 43' ' ' THR . 23.4 mt-30 -58.24 -23.15 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.873 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -19.78 60.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 51.04 111.098 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.3 mmm -85.33 -43.66 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.848 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.46 -26.27 63.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.956 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.9 t -97.56 36.19 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.178 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.45 118.17 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.903 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 152.23 28.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.88 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.724 ' HB2' HG23 ' A' ' 49' ' ' VAL . 14.3 m-20 -150.3 166.35 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.825 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -61.72 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -32.51 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.931 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 46' ' ' ASP . 88.6 t -56.67 -27.45 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.12 111.097 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.98 -21.28 65.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.888 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -74.88 -37.17 62.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.43 98.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.35 111.079 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.58 -20.4 55.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 55.23 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -41.78 87.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.13 -33.19 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.778 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.19 -47.61 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.157 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.36 -27.82 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.04 -40.65 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.865 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.37 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 73.1 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 64.3 74.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.736 HD13 HG13 ' A' ' 96' ' ' ILE . 23.3 mt -130.04 131.17 23.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 74.23 111.112 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.0 41.81 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.719 2.279 . . . . 73.41 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.82 -10.42 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 54.42 110.81 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -75.59 -34.0 60.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.912 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -97.08 -30.76 12.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 52.22 110.861 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.713 ' CG2' HG21 ' A' ' 56' ' ' THR . 90.8 m -70.98 -30.51 66.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.155 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.505 ' HE3' HG11 ' A' ' 49' ' ' VAL . 1.4 mmt -50.54 -60.7 4.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.569 0.699 . . . . 71.43 110.878 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.8 -14.17 35.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.752 2.301 . . . . 71.12 112.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.5 t -79.84 -57.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 71.11 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 71' ' ' MET . 4.0 pp -58.79 -44.59 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 62.12 110.91 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.571 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.7 mmt -59.16 -26.26 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.92 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.44 -30.19 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 62.31 110.865 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.9 mt -75.03 -42.49 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.4 mm? -67.07 -23.78 65.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.62 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.71 -31.07 52.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.891 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.81 3.81 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 54.23 111.078 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.49 23.98 29.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 71.25 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.92 38.71 6.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.466 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.75 104.03 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.361 . . . . 71.45 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.41 ' CE2' HD11 ' A' ' 74' ' ' LEU . 69.8 m95 -79.6 -22.31 43.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.99 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -52.44 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 61.35 110.837 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -77.41 -41.86 38.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.8 mt -59.06 -26.31 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.13 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.36 8.07 44.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.947 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.51 -17.27 59.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.874 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.0 26.48 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 110.876 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.76 39.78 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.955 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.707 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.6 m-85 61.32 40.5 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.917 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -51.47 -33.04 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 65.02 111.15 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -51.65 -35.8 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.089 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -68.37 -34.73 76.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.21 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.97 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.146 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.51 -29.74 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.916 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -56.96 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.103 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.736 HG13 HD13 ' A' ' 61' ' ' ILE . 43.3 mm -59.77 -37.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.18 -33.82 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -76.5 -54.98 5.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.093 -0.503 . . . . 61.14 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.71 -53.55 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.189 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -50.96 -31.4 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 55.43 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.23 163.76 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 62.35 110.814 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 51.64 71.89 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 64.33 110.858 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.83 -25.22 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -11.48 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 62.12 110.909 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -61.06 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 63.44 110.883 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -52.45 -41.71 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.841 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -128.54 151.2 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -170.01 -59.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 74.25 112.5 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 65.22 110.853 -179.708 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 73.43 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.58 73.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 45.25 112.438 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -69.64 117.76 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 34.32 110.88 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.0 p -97.28 135.17 39.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.785 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.15 115.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 54.55 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -141.21 -178.45 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 63.03 110.866 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -167.33 153.41 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -139.25 138.33 36.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 65.11 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -156.71 145.3 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -134.25 157.62 45.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.842 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -170.98 151.72 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.54 110.887 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 p -149.8 132.92 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 62.14 110.858 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.85 -176.44 14.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 64.45 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -118.79 -175.06 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 72.35 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.75 156.21 73.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.733 . . . . 65.45 111.113 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -171.27 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.631 2.22 . . . . 70.51 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 172.45 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.931 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.65 166.3 50.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 34.54 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p -112.27 168.84 9.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 45.13 110.801 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.13 172.99 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 64.31 110.868 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -124.89 90.84 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 75.32 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 tp -71.55 141.34 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.169 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.6 p -81.38 57.83 3.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 55.12 110.799 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -63.16 1.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 70.4 110.939 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -75.41 178.15 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.823 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.21 -171.29 42.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 75.52 112.481 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -158.15 162.7 37.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 75.52 110.931 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -55.47 175.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 71.31 111.072 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -52.35 111.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.4 t -115.02 155.35 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 73.01 110.843 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.8 m 36.99 43.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 55.54 111.216 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.11 -17.17 35.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -114.22 -20.68 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.55 -28.86 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 63.21 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.01 15.39 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 42.41 110.911 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.07 -27.99 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.933 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 ttm -76.8 -25.7 53.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -72.99 -20.68 60.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.896 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -51.89 -57.55 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.54 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 61.2 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.4 -25.35 50.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 38' ' ' GLN . 3.3 mm? -78.2 -9.02 59.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 75.22 110.945 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -67.89 0.93 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.19 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 53.25 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.944 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.16 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 53.12 110.909 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.29 164.19 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.925 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.84 -47.19 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 60.32 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.581 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -56.93 -31.63 65.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.898 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.613 HG13 ' CD1' ' A' ' 70' ' ' LEU . 51.7 t -57.06 -32.16 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.44 111.086 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.873 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -51.53 -31.44 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.862 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.25 -38.35 68.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.05 111.088 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' OD2' ' A' ' 63' ' ' ASP . 42.5 mt -60.14 -20.02 56.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.958 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.87 -43.0 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.935 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.755 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.2 tpt180 -77.59 -32.84 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 62.02 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 66' ' ' THR . 17.4 p -72.17 -46.33 56.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 50.13 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.33 -27.1 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.21 -40.24 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.958 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.66 14.07 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.915 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.72 73.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.32 110.824 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 96' ' ' ILE . 38.6 mt -132.0 130.85 22.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 61.12 111.145 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 138.99 39.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 52.22 112.353 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD2' HD22 ' A' ' 53' ' ' LEU . 17.6 m-20 -67.71 -10.3 51.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 74.52 110.787 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.1 -38.19 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.862 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -91.42 -28.94 17.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.883 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.751 HG21 HG21 ' A' ' 56' ' ' THR . 98.1 m -73.8 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.139 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.51 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -50.1 -59.32 7.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.677 . . . . 65.03 110.887 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.3 Cg_endo -69.72 -13.07 34.25 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 70.04 112.303 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.9 t -80.8 -57.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 52.33 111.125 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.613 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -57.85 -43.38 85.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.851 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -59.57 -23.64 63.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.898 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -29.98 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.2 mt -74.72 -51.36 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.01 110.98 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.779 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -59.75 -24.17 63.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.23 -53.66 55.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 71.51 110.922 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.0 -30.39 55.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.868 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.91 4.02 31.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.106 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.57 23.1 34.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 73.41 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.779 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 90.38 39.84 5.89 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.81 -0.71 . . . . 73.32 112.516 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.78 105.58 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 70.22 110.88 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.1 m95 -82.18 -20.28 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.939 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.864 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -79.37 -42.82 24.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.556 HD12 HD13 ' A' ' 74' ' ' LEU . 92.3 mt -57.81 -27.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 51.53 111.103 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.26 -0.87 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.835 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.4 tt -56.14 -23.88 37.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.903 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.76 25.17 7.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.863 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.68 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.864 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.715 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.3 m-85 61.15 40.53 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.936 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -51.62 -33.57 33.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.507 . . . . 62.4 111.16 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.46 -35.97 42.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.079 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.755 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.4 -34.52 77.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.64 -49.47 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.191 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.85 -29.89 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 63.55 110.904 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.93 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.773 HG13 HD13 ' A' ' 61' ' ' ILE . 42.7 mm -59.46 -38.93 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.166 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.57 -33.18 72.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.93 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -76.36 -54.88 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.83 -54.37 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.123 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -50.91 -30.93 16.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.76 -74.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.843 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -92.2 134.59 34.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 73.44 110.922 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -131.88 -41.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.86 -27.36 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -65.87 -176.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.1 153.49 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.836 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -79.1 -48.46 14.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 55.1 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -131.37 -122.12 2.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 64.13 112.504 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 65.15 110.872 -179.79 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 64.35 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.34 -123.02 2.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 70.42 112.466 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -88.46 -176.56 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 74.54 110.834 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 p -74.93 178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 61.14 110.852 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.21 178.39 4.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 71.34 110.816 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -141.26 176.76 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.884 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -98.36 -177.52 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 63.2 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -149.65 158.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.858 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -101.68 -179.58 4.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.877 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -120.02 -178.75 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.896 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -138.45 -174.9 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 74.33 110.815 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 p -153.07 124.78 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.892 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.614 ' C ' HD13 ' A' ' 14' ' ' LEU . . . -106.59 -135.38 7.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 70.33 112.476 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -156.37 174.44 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 71.32 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -149.17 156.16 40.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.724 . . . . 75.32 111.168 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.17 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 74.14 112.309 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 137.13 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.64 102.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.33 112.521 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -133.14 110.6 10.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 54.34 110.876 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -79.54 157.65 27.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.863 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.5 mtm -135.12 88.07 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 61.5 110.869 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 tp -121.07 143.41 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 72.33 111.167 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.6 m -52.14 -59.68 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 tp 60.45 33.46 20.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.942 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.4 p -170.21 173.29 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.927 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.42 69.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 73.51 112.526 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.0 pt? -126.85 13.65 7.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.926 0.393 . . . . 71.25 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.6 p -147.17 -179.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.067 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -77.16 175.71 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.869 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 21.7 m -157.97 157.98 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.861 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 27.1 m 36.92 44.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 55.03 111.063 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -26.54 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.914 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -116.25 -25.12 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.847 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.98 -25.74 45.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 65.45 110.835 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 31' ' ' VAL . 2.3 mm? -64.3 -25.93 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.929 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.26 -28.2 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.822 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 ttt -80.98 -32.44 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.816 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -57.87 -23.57 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.937 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 43' ' ' THR . 24.9 mm-40 -53.99 -36.8 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.79 68.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 53.13 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.7 mmt -79.33 -44.86 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.07 -29.02 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.17 25.54 4.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.103 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -87.22 96.78 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 52.24 110.859 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -99.95 140.65 33.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 65.33 110.925 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.94 158.27 44.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.33 110.842 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.73 -45.39 94.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.799 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.09 -30.72 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.93 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.799 HG23 ' HD2' ' A' ' 48' ' ' LYS . 5.9 t -68.28 -40.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 61.13 111.093 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.3 mt -52.71 -33.63 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.23 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -51.16 -32.95 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.15 110.924 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.37 -41.42 66.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.052 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.63 -20.28 54.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.275 -0.42 . . . . 64.34 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.69 -42.44 91.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.944 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.753 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.3 tpt180 -77.13 -33.02 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 64.23 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 66' ' ' THR . 21.1 p -73.48 -46.92 45.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 51.33 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -55.89 -27.36 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 63.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -64.58 -40.15 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.1 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.37 13.53 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 64.18 73.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.886 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -129.65 131.3 23.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 64.54 111.218 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 138.84 38.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 72.33 112.346 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.62 -10.31 50.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.819 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.65 -32.52 60.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.877 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -98.18 -30.77 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.86 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 56' ' ' THR . 97.0 m -73.47 -30.79 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.14 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.506 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -51.62 -59.6 7.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 73.43 110.913 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.2 Cg_endo -69.73 -15.21 37.08 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 73.44 112.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 65' ' ' LYS . 23.7 t -81.5 -49.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.41 111.129 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' A' ' 49' ' ' VAL . 2.6 pp -64.94 -40.05 94.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.909 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 16.9 ptt? -61.44 -25.04 66.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 64.51 110.871 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -30.88 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 74.1 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.5 mt -70.38 -46.15 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.872 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.677 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -72.02 -22.47 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.33 110.924 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.4 -54.02 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.867 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.39 -36.4 45.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.48 -17.95 60.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 70.44 111.157 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.75 11.0 82.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 21.31 112.48 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.677 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 97.27 39.34 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 71.14 112.536 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.32 108.43 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 74.32 110.904 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.494 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 59.7 m95 -85.18 -20.49 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.929 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.0 t -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -86.64 -45.73 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.12 110.944 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 73' ' ' LEU . 95.7 mt -58.0 -25.21 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 75.31 111.094 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.39 1.55 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.93 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.0 tt -62.47 -16.95 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -130.94 26.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.819 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.89 42.45 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.915 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.72 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.7 m-30 60.18 41.3 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.939 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -52.78 -30.97 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 53.4 111.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -53.85 -36.44 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.07 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.753 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.69 -33.59 75.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.52 111.0 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.85 -49.43 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.24 111.134 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -74.65 -29.99 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.35 110.888 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.35 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 61.54 111.067 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 69' ' ' VAL . 37.8 mm -58.48 -37.74 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.152 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.916 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -77.17 -55.03 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.85 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.59 -47.01 89.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 53.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -60.38 -18.89 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -89.63 -13.82 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.01 88.83 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.941 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -122.76 -16.4 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 73.42 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -55.15 -22.35 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.925 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -66.01 -13.74 60.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.89 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.9 t -142.19 162.98 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.887 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.27 -42.46 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 75.13 110.856 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -166.98 -143.63 3.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 32.35 112.502 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 72.44 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.89 0.376 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 71.43 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -114.14 142.29 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 75.01 110.83 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -144.32 122.77 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.811 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -71.23 175.67 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 72.31 110.828 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -77.69 119.15 20.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.86 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -99.77 118.99 37.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 63.15 110.931 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -103.79 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -153.45 143.48 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.882 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -106.04 160.62 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.867 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 p -122.43 -53.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.842 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.3 p -74.38 147.74 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 63.14 110.809 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.86 152.37 20.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 31.2 112.528 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -142.05 164.08 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 72.25 110.917 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.86 156.22 79.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 63.34 111.157 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 174.13 10.01 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 51.13 112.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -105.24 155.39 19.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 73.5 110.932 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.29 109.57 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.723 . . . . 73.1 112.471 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -142.64 123.48 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 73.31 110.836 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -90.6 78.13 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.44 110.786 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mmm -115.19 -56.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.86 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 22' ' ' ILE . 8.0 tp -109.55 16.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 75.13 111.213 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t 56.18 34.12 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.79 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -123.41 174.76 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.817 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.36 -68.47 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 74.54 112.503 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.8 -9.65 58.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 63.32 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.9 p -62.19 138.11 58.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.107 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -178.97 140.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.897 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' VAL . 3.8 m -160.45 179.18 8.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 54.52 110.772 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 36.97 44.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 65.33 111.096 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.44 -23.82 53.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -116.0 -23.74 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.905 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -57.89 -27.2 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 64.11 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.9 15.48 14.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.74 -26.0 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.8 ttp -61.04 -27.25 68.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.0 -26.25 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 70.31 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 43' ' ' THR . 27.4 mt-30 -60.35 -24.09 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.38 67.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 70.45 111.067 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.49 -45.4 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.885 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.16 -21.0 64.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 65.03 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -114.72 44.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 72.02 111.136 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -51.94 114.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.5 110.844 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 141.24 50.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 53.21 110.88 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.99 172.1 15.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.2 110.9 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.78 -41.98 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 55.2 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -68.07 -30.81 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 71.05 110.869 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 70' ' ' LEU . 55.4 t -60.11 -38.65 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 63.2 111.157 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.8 mt -55.04 -32.38 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 33.24 110.889 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -50.88 -32.77 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.862 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.24 -45.35 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 64.34 111.18 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -56.84 -23.36 43.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 62.2 110.916 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -59.45 -48.17 82.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 61.24 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.87 -32.96 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 70.33 110.948 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 66' ' ' THR . 5.7 p -71.13 -38.69 72.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 42.34 111.158 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -54.45 -36.92 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -64.81 -33.19 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.551 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -91.52 4.06 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.921 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.91 73.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.05 110.905 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HG13 ' A' ' 96' ' ' ILE . 14.8 mt -132.39 129.83 21.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 64.3 111.121 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 136.05 32.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 74.04 112.323 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -17.75 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.905 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.12 -44.33 84.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 41.11 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 69' ' ' VAL . 12.4 ptmt -88.88 -28.34 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.934 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' THR . 88.7 m -74.54 -30.32 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.108 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.525 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -49.89 -59.31 7.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 71.22 110.814 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.74 -13.65 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 74.33 112.337 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 65' ' ' LYS . 40.7 t -80.99 -56.28 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -61.3 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.92 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.11 -23.48 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.42 110.914 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HE2' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -72.78 -30.3 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.51 110.923 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' HE2' ' A' ' 72' ' ' LYS . 6.8 mt -71.8 -46.71 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.926 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.5 mm? -62.89 -23.91 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.24 110.956 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -54.03 51.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.52 -30.83 53.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -83.98 4.38 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 72.14 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.54 28.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 72.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.53 39.39 6.31 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.733 -0.746 . . . . 61.0 112.561 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.82 106.42 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 74.22 110.884 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.57 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 66.1 m95 -82.37 -20.3 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -52.8 -52.14 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.31 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -77.55 -42.43 35.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 73.2 110.914 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 74' ' ' LEU . 94.7 mt -58.41 -26.85 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.22 111.164 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.43 6.37 48.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 50.41 110.916 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 86' ' ' LEU . 5.7 tt -63.19 -16.13 59.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 45.45 110.972 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.07 27.36 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.793 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.6 41.64 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.907 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.4 m-30 60.12 40.99 17.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 64.41 110.965 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.4 m -51.33 -33.52 29.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 54.14 111.203 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.47 -36.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.32 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.765 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -66.61 -34.05 77.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.927 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.72 -48.99 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.085 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -74.38 -30.14 61.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.885 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.67 -56.82 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.139 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.8 HG13 HD13 ' A' ' 61' ' ' ILE . 38.4 mm -61.72 -35.75 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.42 111.14 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.7 -33.73 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -76.07 -54.74 6.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 42.25 110.826 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.03 -56.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -51.11 -31.04 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 65.2 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -91.91 162.87 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.863 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 51.61 78.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.57 -22.88 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.896 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -18.01 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.2 60.33 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 64.23 110.917 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 t -93.28 75.93 4.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.876 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -110.39 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.42 110.856 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.59 65.64 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.52 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 62.0 110.843 -179.687 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 tpp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.36 . . . . 53.2 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.97 33.44 4.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 34.51 112.464 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -62.69 133.72 55.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.915 0.388 . . . . 71.05 110.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -153.12 171.76 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 74.43 110.839 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -136.51 112.54 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.907 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -84.14 152.47 24.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -147.21 143.28 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -152.56 163.63 39.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 73.2 110.897 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -74.15 159.29 32.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 70.02 110.896 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -122.73 102.75 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 p -99.47 81.86 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 54.14 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -138.59 122.9 18.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 64.21 110.835 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.46 6.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.835 -0.698 . . . . 64.55 112.493 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' C ' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -131.17 27.09 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 73.22 110.925 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG13 ' C ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER 57.2 160.56 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 75.24 111.116 179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.619 2.212 . . . . 61.1 112.392 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.02 168.26 20.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.882 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.05 54.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 63.13 112.541 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -152.86 158.4 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 74.01 110.867 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -147.2 150.15 34.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.9 mtt -108.36 42.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.18 140.24 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.081 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -52.07 -48.57 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 tp 57.65 48.39 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.42 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 t -52.13 115.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.865 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.16 158.69 25.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 53.53 112.499 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -78.96 -16.74 56.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 62.24 110.921 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.93 157.11 45.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.12 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -50.77 155.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.895 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 t -138.98 94.87 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.901 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.55 33.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 65.42 111.114 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -75.08 -24.99 58.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -116.02 -24.59 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.512 . . . . 74.11 110.864 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.98 -26.16 47.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 74.32 110.825 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -25.19 35.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.436 . . . . 71.21 110.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.92 -40.5 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.875 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.41 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -74.78 -45.43 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 43' ' ' THR . 9.3 pt20 -66.69 -31.65 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.81 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.066 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 mmm -81.91 -41.22 21.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 65.54 110.843 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.67 -25.08 61.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.945 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.2 t -100.64 36.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.155 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.81 116.87 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -76.65 141.69 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 73.22 110.951 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.63 ' HB2' HG23 ' A' ' 49' ' ' VAL . 34.8 m-20 -141.32 168.83 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.83 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -64.32 -53.45 48.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.923 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -32.7 58.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.886 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 46' ' ' ASP . 87.7 t -60.85 -30.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 53.43 111.127 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.03 -22.34 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 54.15 110.916 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.91 -38.7 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.915 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -64.25 -43.9 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 62.4 111.073 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.09 -22.86 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.956 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.69 -42.26 91.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.11 110.848 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.741 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.3 tpt180 -77.21 -32.65 56.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.905 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 92' ' ' LEU . 17.8 p -73.77 -46.67 44.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 73.01 111.161 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -54.82 -26.82 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.43 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -63.57 -40.58 97.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 72.42 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.55 16.4 12.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.73 74.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.903 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 96' ' ' ILE . 16.0 mt -135.12 118.45 13.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 52.22 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.41 32.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 63.41 112.388 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -20.0 28.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 54.22 110.838 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.52 -31.6 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.907 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.9 ptmt -104.26 -28.49 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 71.11 110.934 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.587 HG21 HG21 ' A' ' 56' ' ' THR . 69.7 m -73.74 -30.49 62.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.186 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.621 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -50.03 -59.59 6.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 74.33 110.884 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.5 Cg_endo -69.7 -14.43 36.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 74.21 112.408 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 65' ' ' LYS . 39.8 t -81.14 -57.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 65.14 111.117 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.7 pp -58.21 -43.19 87.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.034 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.432 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.4 ptt? -60.08 -23.34 63.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.913 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.77 -30.54 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.14 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD22 ' HB1' ' A' ' 91' ' ' ALA . 5.7 mt -74.13 -50.35 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 63.34 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.755 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.7 mm? -61.47 -24.05 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.965 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -53.91 52.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.859 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -77.27 -30.38 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.3 4.3 31.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 51.14 111.083 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 54.81 23.73 31.04 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.449 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.755 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.71 39.13 6.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 43.21 112.494 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.66 105.04 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.335 . . . . 75.44 110.907 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.548 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 68.5 m95 -81.06 -21.75 39.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.942 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 t -51.79 -51.95 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.867 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -77.25 -42.57 36.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 75.54 110.927 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 74' ' ' LEU . 94.0 mt -58.6 -25.16 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.33 111.173 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 6.72 47.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.887 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.27 -17.28 58.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -133.93 27.42 3.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.833 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 40.97 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.9 m-85 61.1 40.36 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 64.32 110.935 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -51.67 -33.39 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.514 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -51.37 -36.68 44.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.13 111.088 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.741 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.2 pp -67.02 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.41 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.17 -49.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.152 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.44 -29.94 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.853 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.89 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.775 HG13 HD13 ' A' ' 61' ' ' ILE . 43.9 mm -60.83 -35.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.41 111.136 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.21 -34.75 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -76.26 -54.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.865 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.36 -54.29 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 61.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.22 -31.39 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.903 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.84 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 51.62 80.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.46 -26.17 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.42 110.84 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -26.29 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -85.94 54.49 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -179.02 160.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.04 110.823 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -122.48 139.99 53.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.14 160.09 22.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.649 -0.786 . . . . 44.03 112.445 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 63.1 110.859 -179.719 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.849 0.356 . . . . 74.31 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.1 143.99 9.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.841 -0.695 . . . . 71.2 112.506 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -129.26 116.91 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 72.52 110.894 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.1 t -58.98 131.66 51.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.867 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -95.07 88.21 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 73.02 110.879 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -164.29 145.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 61.2 110.84 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -161.31 144.88 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.808 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -61.75 142.09 57.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -132.77 143.7 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -148.07 144.72 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.936 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.2 p -84.5 157.76 21.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 53.32 110.845 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -108.63 72.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.086 -0.506 . . . . 23.35 110.83 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.485 ' C ' HD12 ' A' ' 14' ' ' LEU . . . -159.43 62.41 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.668 -0.777 . . . . 55.15 112.463 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 13' ' ' GLY . 7.3 mp -129.53 55.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 63.14 110.932 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.85 156.27 45.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 73.11 111.076 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 111.34 2.8 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.662 2.241 . . . . 63.14 112.387 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -57.8 146.37 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.845 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.28 98.31 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 63.41 112.451 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 161.91 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 71.44 110.851 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.94 172.18 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.852 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.2 ptp -173.6 146.61 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.815 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.534 HD13 ' H ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -112.24 139.53 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 43.35 111.124 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.534 ' H ' HD13 ' A' ' 22' ' ' ILE . 4.8 m -51.23 -48.53 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.03 110.863 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 22' ' ' ILE . 2.7 mt -87.52 45.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 62.33 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.8 82.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.874 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.61 154.04 0.19 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.774 -0.727 . . . . 43.3 112.521 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 28' ' ' THR . 2.0 pt? -128.23 132.69 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 64.41 110.864 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 176.74 160.82 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 61.41 111.192 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -65.07 179.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.867 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.7 t -127.52 174.31 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.4 110.875 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.12 43.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.098 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -77.57 -22.97 50.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -115.9 -24.22 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 61.4 110.845 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.49 -26.18 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.34 110.94 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -90.0 -25.81 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 52.15 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.67 -34.43 73.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 63.24 110.864 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -26.76 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.849 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.82 -28.05 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.701 ' O ' HG22 ' A' ' 43' ' ' THR . 2.4 pt20 -60.02 -32.75 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.5 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.05 111.094 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.8 mtp -81.19 -28.97 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.6 6.49 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.5 t -139.59 48.13 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 72.13 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -51.75 112.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 65.22 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 174.66 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.903 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' HB2' HG23 ' A' ' 49' ' ' VAL . 1.3 m-20 -129.19 -178.72 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 63.41 110.881 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -70.3 -42.03 72.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.806 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -32.72 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.904 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.686 HG13 ' CD1' ' A' ' 70' ' ' LEU . 93.1 t -59.25 -27.84 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.089 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.33 -25.98 65.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.15 -40.3 90.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.896 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -62.88 -42.8 99.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 53.42 111.107 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.89 -21.41 57.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 60.45 110.895 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.82 -38.82 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.35 110.853 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG3' HD21 ' A' ' 92' ' ' LEU . 5.7 tpt180 -77.56 -34.43 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.936 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 66' ' ' THR . 13.3 p -74.89 -44.69 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 63.24 111.172 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.29 -26.77 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.13 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -65.14 -39.68 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 12.5 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 60.23 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.08 75.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.867 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.644 HD13 HG13 ' A' ' 96' ' ' ILE . 37.6 mt -130.42 131.28 23.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 74.24 111.163 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.25 32.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.744 2.296 . . . . 72.41 112.316 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -67.82 -9.9 48.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 65.13 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.81 -23.96 55.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -108.79 -25.24 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.904 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.774 HG21 HG21 ' A' ' 56' ' ' THR . 11.9 m -75.98 -37.19 58.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.559 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.9 mmm -49.08 -56.74 14.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 64.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.81 -15.48 36.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 74.11 112.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.1 t -81.52 -56.01 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 74.2 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.686 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.06 -44.44 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.4 ppp? -60.39 -23.39 64.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.822 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -30.17 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.4 mt -75.28 -51.28 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.9 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -57.84 -24.07 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.887 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -53.8 53.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.826 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -77.47 -29.58 52.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.2 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.53 3.88 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 65.3 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.76 19.93 37.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 92.25 40.51 5.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 73.13 112.485 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 103.57 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 73.33 110.906 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.608 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 64.9 m95 -81.54 -21.78 38.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -51.24 -50.64 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 61.11 110.875 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -79.03 -43.21 24.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 74' ' ' LEU . 88.9 mt -58.25 -24.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.32 111.197 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.3 -2.41 39.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.925 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 86' ' ' LEU . 10.4 tt -53.01 -27.54 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.42 110.943 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.73 24.33 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.813 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.14 40.7 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.726 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.43 40.33 14.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.933 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -51.76 -30.5 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.45 111.132 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.77 -36.82 67.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 61.31 111.098 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.726 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.0 OUTLIER -65.68 -33.77 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.884 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 t -64.64 -49.65 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 73.22 111.089 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.02 -29.74 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.47 -57.19 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 44.13 111.073 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.644 HG13 HD13 ' A' ' 61' ' ' ILE . 39.6 mm -58.86 -38.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.172 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.42 -33.45 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.966 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 t -76.52 -55.09 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.43 110.799 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.02 -53.58 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.081 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -51.11 -31.14 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.862 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.32 -58.54 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.9 118.53 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.954 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -113.0 -25.11 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -19.9 63.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.879 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -51.66 164.53 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 73.52 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 p -85.39 115.96 23.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.838 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -114.29 -174.24 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.23 -89.77 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 71.21 112.485 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 63.01 110.934 -179.763 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 71.32 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.47 153.21 17.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 64.32 112.452 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 p -93.62 73.69 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 74.31 110.877 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -166.49 158.35 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.855 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -93.97 110.36 22.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.891 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -88.75 -26.26 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.829 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -52.81 -43.82 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 74.04 110.819 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.29 144.32 56.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.861 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -142.44 -176.23 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.906 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -88.81 141.52 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.908 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -117.46 99.68 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 64.02 110.86 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -76.34 155.51 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.12 110.849 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.82 148.46 51.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.725 . . . . 60.2 112.489 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.14 176.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 72.45 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.8 156.22 62.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.711 . . . . 73.54 111.091 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.88 26.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 62.51 112.332 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -26.76 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.862 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.83 -150.27 35.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 71.43 112.489 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -131.9 131.74 42.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 74.51 110.841 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -91.63 141.65 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.14 110.871 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mtp -104.1 122.09 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.907 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 tt -150.46 142.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 75.24 111.143 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -77.8 61.69 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.881 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.72 -43.76 69.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.958 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.8 m -56.3 151.02 13.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 64.03 110.814 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.19 153.93 22.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 33.13 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.74 -16.83 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 71.33 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 p -101.44 -175.94 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -76.88 142.28 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 54.13 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' VAL . 58.0 m -155.23 174.18 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.824 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.1 m 36.89 44.22 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 64.14 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -67.5 -29.84 69.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 62.53 110.973 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -137.54 18.46 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.864 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.87 -30.87 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.3 110.881 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -24.81 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.9 -30.18 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -35.0 33.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.92 -26.02 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 53.41 110.95 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 20.4 mm-40 -54.65 -34.07 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.909 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HG22 ' A' ' 43' ' ' THR . . . -63.45 -25.14 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.135 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.3 mtp -81.51 -43.92 18.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.72 -26.46 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 62.54 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLN . 14.5 t -96.41 24.19 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 60.01 111.19 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.87 101.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 61.33 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.907 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -140.87 167.74 21.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -65.71 -53.79 36.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.849 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.811 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -51.58 -30.41 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.914 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.811 HG23 ' HD2' ' A' ' 48' ' ' LYS . 19.0 t -68.31 -37.27 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.111 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.61 -34.06 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.12 110.941 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -50.76 -34.78 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.911 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.629 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.4 -37.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.41 111.12 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.41 -21.37 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.934 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HG3' HD21 ' A' ' 92' ' ' LEU . 6.2 tpt180 -78.05 -32.97 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.831 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 66' ' ' THR . 7.9 p -74.73 -43.72 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.149 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -54.24 -26.02 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -64.28 -37.63 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.879 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.56 15.06 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t70 65.41 75.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.9 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 96' ' ' ILE . 16.8 mt -135.02 118.47 13.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 63.31 111.182 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 135.05 29.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 73.04 112.367 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.44 -20.06 27.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.87 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.08 -28.27 68.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.808 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.8 ptmt -109.49 -26.07 10.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.812 HG21 HG21 ' A' ' 56' ' ' THR . 9.6 m -76.41 -34.36 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.18 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.554 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 10.8 mmm -49.29 -57.15 12.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.499 0.666 . . . . 65.44 110.848 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.1 Cg_endo -69.72 -15.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 73.4 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 65' ' ' LYS . 26.7 t -81.53 -56.0 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.22 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.647 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -61.21 -44.61 97.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.937 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.6 ppp? -60.25 -23.48 64.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -71.87 -30.28 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HB2' HD13 ' A' ' 84' ' ' ILE . 8.0 mt -76.09 -51.43 12.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.14 110.881 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.752 HD12 ' HA2' ' A' ' 79' ' ' GLY . 4.0 mm? -57.81 -24.2 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 64.25 110.916 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.11 -53.77 54.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.898 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.28 -29.53 53.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 3.84 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.063 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.49 20.74 39.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 71.15 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.752 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 91.69 40.63 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 43.4 112.439 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.6 103.59 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 73.41 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.629 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 62.0 m95 -81.68 -20.79 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -51.52 -50.7 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.35 110.905 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.56 -43.02 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 64.43 110.912 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 74' ' ' LEU . 88.6 mt -58.19 -24.5 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 50.34 111.18 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -0.4 42.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 63.51 110.894 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.61 -25.79 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.938 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.92 24.59 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.44 40.58 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.875 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.8 m-85 61.38 40.27 14.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.897 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -51.54 -30.4 20.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 73.35 111.194 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.57 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 89' ' ' TYR . 1.1 pp -65.78 -34.06 77.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.917 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 t -64.13 -50.0 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.33 111.179 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.97 -29.88 61.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 64.22 110.888 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.19 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 51.13 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 61' ' ' ILE . 42.6 mm -60.98 -34.87 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 64.1 111.115 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.3 -34.65 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 72.12 110.963 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -76.25 -54.7 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.69 -55.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.088 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -50.91 -31.19 16.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.45 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.74 157.1 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 63.14 110.946 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 51.68 83.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 43.31 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.44 -25.25 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.32 110.905 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -35.34 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.07 26.35 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 63.03 110.934 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -83.33 -50.41 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 52.5 110.84 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -117.93 60.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.851 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 151.68 126.37 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 63.12 112.435 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 63.22 110.897 -179.793 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.838 0.351 . . . . 63.3 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.01 45.03 53.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.638 -0.792 . . . . 73.12 112.479 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -128.9 109.12 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 63.21 110.894 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -166.42 154.63 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.822 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -65.23 114.06 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 62.34 110.881 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -127.93 67.88 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.872 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -119.85 106.69 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.44 -65.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.83 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.46 155.57 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 63.53 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -71.0 154.74 41.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.812 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -124.82 148.9 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 60.33 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -105.02 -40.35 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 51.03 110.844 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.42 154.53 28.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 72.51 112.447 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -157.68 122.2 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 65.33 110.972 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 14' ' ' LEU . 3.3 m -119.76 156.15 54.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 71.21 111.179 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 107.88 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.262 . . . . 73.24 112.306 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -63.63 104.87 0.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.929 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.08 -172.36 18.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 51.25 112.472 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -170.1 127.38 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 72.1 110.851 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -101.61 151.13 22.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 44.24 110.874 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.9 tpt -159.65 144.83 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 54.52 110.871 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.88 137.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.182 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.7 m -80.92 58.41 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 64.24 110.879 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.28 -34.85 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.45 110.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -135.01 146.57 49.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 28' ' ' THR . . . -147.02 -115.48 0.88 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.737 -0.744 . . . . 63.54 112.439 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER 41.87 36.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 74.41 110.909 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 26' ' ' GLY . 37.3 p -125.49 -36.02 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.113 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -173.59 174.66 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.823 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.77 -179.66 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 53.43 110.826 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 36.98 43.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 63.05 111.16 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -35.26 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -118.09 -28.09 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.55 110.882 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.18 -26.1 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 73.32 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.81 -31.01 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.22 110.891 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -55.66 -26.03 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.81 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.84 -31.76 66.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 63.41 110.952 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -63.39 -61.52 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 43' ' ' THR . 31.8 mt-30 -56.87 -25.62 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.845 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -33.46 65.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.151 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.0 mmm -55.01 -52.37 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 61.41 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.39 -26.37 65.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.909 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.0 t -123.6 66.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 62.42 111.086 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.45 5.33 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.93 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 -177.48 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 64.21 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HB2' HG23 ' A' ' 49' ' ' VAL . 7.2 m-20 -150.24 -179.18 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.855 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.31 -43.35 81.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.905 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -32.8 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.862 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 46' ' ' ASP . 94.6 t -56.14 -33.19 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 51.44 111.148 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -69.21 -23.06 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.44 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -76.69 -34.24 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.937 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 56' ' ' THR . . . -56.1 -30.72 62.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.122 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' OD1' ' A' ' 63' ' ' ASP . 64.4 mt -71.07 -19.1 62.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.75 -42.19 97.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 92' ' ' LEU . 3.4 tpt180 -77.68 -33.15 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.89 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' THR . 21.4 p -72.6 -46.9 51.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.05 111.13 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -55.37 -27.33 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.835 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -63.43 -40.61 97.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.78 14.59 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.35 74.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.763 HD13 HG13 ' A' ' 96' ' ' ILE . 21.4 mt -132.75 130.85 21.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 74.31 111.139 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.02 41.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.666 2.244 . . . . 75.14 112.371 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' HD21 ' A' ' 53' ' ' LEU . 12.7 t0 -67.42 -10.96 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.87 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.05 -37.61 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 70.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.2 ptmm? -91.4 -29.09 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 72.11 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.696 HG21 HG21 ' A' ' 56' ' ' THR . 97.7 m -72.65 -30.5 64.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.173 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.555 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -49.96 -59.98 5.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 62.43 110.851 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 67' ' ' MET . 54.4 Cg_endo -69.76 -14.47 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 70.03 112.374 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 HD13 ' A' ' 96' ' ' ILE . 38.6 t -80.76 -56.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.138 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 pp -58.96 -41.2 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.838 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.463 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 3.2 ppp? -60.5 -25.22 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.837 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.4 mt -70.07 -42.58 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.866 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 79' ' ' GLY . 2.9 mm? -74.61 -23.04 58.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 70.22 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -42.26 75.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.852 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.25 -46.01 18.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.8 -18.47 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.52 111.059 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.86 12.21 72.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 63.14 112.449 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 102.9 40.59 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.51 112.43 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.57 103.9 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 74.4 110.848 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -81.39 -21.27 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.995 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -52.67 -54.58 31.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.847 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.69 -43.69 45.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.871 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.487 HG22 ' HD1' ' A' ' 89' ' ' TYR . 96.6 mt -57.12 -30.55 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 71.21 111.159 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.39 1.58 54.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.902 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 tp -62.86 -16.4 58.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 61.41 110.983 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.87 26.98 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.883 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.3 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.03 110.906 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.2 m-30 60.57 40.8 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -51.58 -29.93 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.141 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.539 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -54.8 -34.47 62.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.35 111.116 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.4 pp -69.59 -35.36 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.874 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.02 -51.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.42 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -74.83 -29.83 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.831 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.48 -57.32 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.121 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.763 HG13 HD13 ' A' ' 61' ' ' ILE . 38.2 mm -57.86 -46.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.32 111.138 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.44 -30.64 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 64.55 110.956 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 -54.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.52 110.932 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 95' ' ' ALA . 17.6 t -63.26 -53.25 48.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 75.34 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.76 -31.05 15.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.2 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.92 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 72.04 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.57 121.38 15.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 60.45 110.872 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -118.26 -29.63 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 72.34 110.827 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -55.39 -26.0 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.96 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -113.06 49.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 64.53 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -179.43 151.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 70.25 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -88.21 -177.58 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.26 159.02 31.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 61.14 112.459 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 71.34 110.869 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.825 0.345 . . . . 71.23 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.63 135.88 2.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.767 -0.73 . . . . 64.34 112.539 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -63.15 150.45 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 24.1 110.842 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -96.67 45.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.893 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -117.03 40.08 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -121.28 -43.07 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.2 110.865 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 54.16 33.38 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -152.09 115.87 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.849 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -97.74 174.08 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -61.75 -37.53 84.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.825 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -65.23 101.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 53.54 110.862 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.2 t -139.23 119.18 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.859 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.52 -157.8 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 64.14 112.452 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 15' ' ' VAL . 3.2 tt -107.6 128.52 54.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 65.54 110.923 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.6 m -51.67 156.0 2.54 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.747 . . . . 72.33 111.075 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 168.7 20.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 73.31 112.331 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -132.58 -176.62 4.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.05 -131.26 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 53.12 112.533 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -112.66 152.74 28.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 73.34 110.793 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -99.96 114.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.839 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.2 ptm -125.27 42.93 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.891 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.7 tt -71.6 151.67 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.213 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 24' ' ' LEU . 7.7 t -86.05 5.66 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 52.22 110.901 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER 33.1 54.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.875 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -118.2 160.7 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.812 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.76 -170.89 18.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 32.21 112.471 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 pt? -113.96 11.67 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.24 110.912 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 p -72.92 174.87 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.204 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -108.44 -170.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.35 110.863 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' VAL . 79.1 p -96.35 -173.68 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.88 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.07 43.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.13 111.108 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.13 -21.92 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -114.55 -22.59 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.937 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -55.61 -25.97 41.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 61.25 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -79.62 -33.17 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.902 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.82 -24.0 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.02 110.863 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm -70.72 -41.05 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.872 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.09 -25.07 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 43' ' ' THR . 16.3 mm-40 -80.94 -23.77 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 61.3 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -23.58 66.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.12 111.053 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtp -75.56 -41.72 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 72.4 110.92 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.26 -13.54 61.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.949 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 39' ' ' GLN . 8.1 t -124.01 50.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 51.12 111.165 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.92 116.62 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 165.83 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 65.45 110.864 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.16 164.94 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 75.01 110.907 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -67.13 -45.33 77.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 60.12 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.773 ' HD2' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -59.44 -30.92 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 61.15 110.905 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.773 HG23 ' HD2' ' A' ' 48' ' ' LYS . 19.6 t -65.26 -34.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 71.1 111.174 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -53.85 -34.19 58.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.945 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -50.94 -35.15 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.856 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -72.58 -40.92 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 53.34 111.144 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.43 -20.42 59.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 71.11 110.897 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -65.64 -42.26 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.762 ' HG3' HD21 ' A' ' 92' ' ' LEU . 2.7 tpt180 -77.15 -32.54 56.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.892 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 66' ' ' THR . 20.9 p -73.95 -45.14 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 63.23 111.156 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -53.97 -25.9 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 74.42 110.816 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.08 -37.78 86.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.896 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 12.67 26.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 53.35 110.942 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.0 75.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.3 110.85 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.645 HD13 HG13 ' A' ' 96' ' ' ILE . 39.8 mt -130.32 131.47 23.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 71.41 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 136.39 33.02 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.702 2.268 . . . . 71.25 112.353 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.81 -9.82 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -74.89 -23.24 58.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -110.17 -25.41 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.848 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.863 HG21 HG21 ' A' ' 56' ' ' THR . 10.8 m -76.3 -36.95 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 64.53 111.205 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.562 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 9.8 mmm -49.07 -56.78 13.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.542 0.687 . . . . 73.3 110.876 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.3 Cg_endo -69.88 -16.02 36.89 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 72.15 112.248 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LYS . 12.8 t -81.64 -56.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 62.23 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.618 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.4 pp -59.29 -44.55 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -58.95 -23.48 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.866 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -29.88 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.74 -48.11 27.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.9 mm? -60.56 -24.37 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 53.02 110.929 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.19 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.908 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.46 -29.44 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.926 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.5 5.1 28.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.147 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.14 23.62 33.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.757 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 89.06 40.6 6.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 61.35 112.42 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.66 103.7 10.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 71.52 110.926 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.636 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 65.9 m95 -81.22 -20.96 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 75.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -52.24 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.828 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.67 -42.57 34.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.907 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 74' ' ' LEU . 91.0 mt -58.44 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 74.52 111.138 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.6 2.57 47.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 65.01 110.935 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.2 25.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.881 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 40.91 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.883 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.718 ' CB ' HD23 ' A' ' 92' ' ' LEU . 18.5 m-85 61.13 40.28 15.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -51.39 -31.33 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 65.53 111.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.42 -36.54 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 42.53 111.137 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.762 HD21 ' HG3' ' A' ' 55' ' ' ARG . 1.1 pp -65.74 -34.07 77.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 63.33 110.974 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.6 -49.6 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.147 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.88 -29.79 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 -57.0 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 61.42 111.065 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.645 HG13 HD13 ' A' ' 61' ' ' ILE . 39.9 mm -59.43 -37.92 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 63.24 111.144 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.5 -33.61 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.893 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -76.57 -55.0 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.85 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -53.6 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 40.22 111.169 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -51.06 -31.21 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.15 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.61 -57.04 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -115.43 111.39 20.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.846 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -99.51 -42.8 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 62.35 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 -34.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.881 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.76 119.18 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.012 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -157.48 163.13 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 61.25 110.841 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -131.1 105.43 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 55.13 110.89 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 111.71 67.49 0.53 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 73.52 112.474 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 63.33 110.846 -179.722 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.811 0.339 . . . . 73.13 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.69 128.91 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 72.41 112.454 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -117.65 -177.49 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 63.03 110.833 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 m -148.09 171.42 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 70.55 110.909 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -149.55 149.98 31.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -130.03 155.14 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.818 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -128.23 169.41 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.816 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -151.52 173.93 14.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 70.41 110.851 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -148.71 132.9 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.861 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -152.31 161.84 42.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 70.12 110.79 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.1 t -145.0 166.89 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.811 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -132.1 -73.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 64.14 110.859 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.8 -178.58 53.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 65.42 112.527 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -80.58 179.18 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 74.12 110.882 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -128.36 156.2 77.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 73.13 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.05 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.68 2.253 . . . . 72.2 112.326 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.16 175.16 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.907 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.34 -161.49 24.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.68 -0.771 . . . . 72.12 112.449 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -69.9 -175.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 60.33 110.855 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -111.98 38.76 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.11 110.893 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.0 mtt -92.45 88.57 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -167.32 147.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 55.02 111.154 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.487 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.8 m -74.99 67.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.904 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.81 45.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 64.32 110.891 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 p -53.18 118.24 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 54.11 110.832 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.44 62.06 0.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 72.44 112.484 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 28' ' ' THR . 7.3 tt -143.79 157.06 44.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 62.01 110.894 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.494 ' O ' HD23 ' A' ' 27' ' ' LEU . 33.4 p -54.54 170.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 74.45 111.073 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -63.68 -177.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.771 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.1 t -132.17 -172.26 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 72.5 110.876 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' SER . 26.9 m 37.03 44.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 71.03 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -30.69 71.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 61.42 110.833 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -141.3 20.01 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.882 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -88.81 -32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.882 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.29 -26.19 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.52 -33.69 46.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.891 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -54.91 -30.04 57.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.857 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -61.25 -26.93 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.722 ' O ' HG22 ' A' ' 43' ' ' THR . 17.5 mm-40 -60.69 -24.54 65.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.3 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.2 111.171 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mmm -73.65 -50.0 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -22.91 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 60.35 110.989 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 39' ' ' GLN . 9.0 t -111.62 42.45 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 74.05 111.165 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -52.06 110.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 73.03 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 176.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.92 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB2' HG23 ' A' ' 49' ' ' VAL . 22.1 m-20 -141.97 -177.89 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.887 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -70.86 -41.88 70.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -32.81 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 61.14 110.891 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 46' ' ' ASP . 98.2 t -57.02 -28.33 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 72.24 111.154 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.74 -21.34 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 63.54 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -74.52 -31.94 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 64.43 110.925 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB2' ' HZ3' ' A' ' 81' ' ' TRP . . . -74.4 -28.42 61.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.078 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.29 -23.58 54.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.31 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -35.84 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.69 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -78.65 -36.27 44.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.849 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.868 HG22 HD13 ' A' ' 92' ' ' LEU . 26.4 p -74.56 -45.16 47.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -53.81 -27.84 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.54 -40.68 97.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 70.41 110.932 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.59 14.27 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.5 110.895 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 63.96 73.09 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.84 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.579 HD12 ' HB ' ' A' ' 56' ' ' THR . 23.7 mt -127.21 131.3 23.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.3 39.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 73.1 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.75 -10.31 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.895 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.55 -35.12 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.901 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.2 ptmm? -95.29 -30.38 13.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.953 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.563 ' CG2' HG21 ' A' ' 56' ' ' THR . 74.0 m -73.56 -30.58 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 70.43 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.583 ' HE1' HG11 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -51.12 -59.74 7.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 72.03 110.885 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.6 Cg_endo -69.84 -14.53 35.96 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.6 2.2 . . . . 45.43 112.348 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 96' ' ' ILE . 24.9 t -81.18 -57.13 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.101 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.8 pp -58.19 -42.98 87.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 41.23 110.894 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.8 ptp -60.13 -23.56 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -30.14 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.834 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ALA . 4.3 mt -71.71 -41.17 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD12 ' HA2' ' A' ' 79' ' ' GLY . 3.3 mm? -68.99 -23.75 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 70.52 110.924 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.5 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 71.53 110.944 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.82 -31.35 51.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB3' HD11 ' A' ' 84' ' ' ILE . . . -84.24 4.79 29.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.149 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.59 24.59 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 74.44 112.514 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 74' ' ' LEU . . . 88.91 38.58 6.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 71.25 112.506 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.76 103.97 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 62.44 110.905 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 52' ' ' ALA . 72.3 m95 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.946 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -51.96 -52.22 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -76.71 -42.66 40.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 77' ' ' ALA . 96.1 mt -58.77 -26.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.55 111.174 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.01 7.29 46.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 75.54 110.877 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.4 tt -62.36 -17.22 58.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.959 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.95 27.34 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 60.23 110.85 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.29 40.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.928 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.717 ' CB ' HD23 ' A' ' 92' ' ' LEU . 17.7 m-85 61.38 40.12 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.898 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.0 m -51.6 -31.83 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 65.21 111.128 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -52.89 -35.23 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 65.34 111.084 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.868 HD13 HG22 ' A' ' 56' ' ' THR . 1.3 pp -68.24 -35.28 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.3 t -61.28 -50.64 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 52.12 111.111 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.864 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -69.55 -57.36 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 111.083 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 69' ' ' VAL . 39.8 mm -58.55 -45.88 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.72 -31.17 70.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -76.73 -55.01 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 74.45 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 18.6 t -62.32 -54.11 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 33.45 111.088 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.93 -31.45 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.91 155.68 18.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 71.31 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 51.86 80.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.916 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -98.71 -26.43 14.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.889 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -67.72 -27.32 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 64.34 110.888 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -95.68 38.93 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.2 t -178.05 159.6 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 62.12 110.849 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -72.49 -64.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 73.33 110.848 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 166.46 -153.94 24.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.782 -0.723 . . . . 55.31 112.496 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 74.21 110.916 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 75.2 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.8 123.97 0.68 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.441 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -64.58 110.6 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 62.41 110.868 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.5 m -128.07 74.72 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 73.34 110.821 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -80.47 -70.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.876 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t60 61.19 50.12 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 73.41 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -72.38 163.2 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 72.14 110.829 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -92.26 160.72 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 63.01 110.845 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -131.63 38.66 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -114.99 137.67 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 73.44 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -138.84 -176.09 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.919 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -150.58 134.64 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.52 67.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 35.14 112.514 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 15' ' ' VAL . 1.5 tt -141.3 129.23 21.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 75.11 110.887 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.54 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.3 m -138.94 156.17 72.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 72.12 111.142 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.27 0.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.68 2.254 . . . . 43.04 112.404 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.77 154.31 22.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.875 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 -168.8 11.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 35.32 112.436 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -76.62 172.3 13.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 61.21 110.889 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -122.05 124.5 44.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.884 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.9 ttp 52.39 52.38 14.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tt -64.09 154.25 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.21 111.114 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -55.23 -26.19 38.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 63.11 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -54.55 -33.33 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 71.21 110.924 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -57.2 114.33 2.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.925 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.34 177.76 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 71.04 112.506 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.5 pt? -106.5 12.08 29.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 74.45 110.958 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -176.14 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.134 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -98.57 66.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 54.34 110.889 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.1 t -165.25 156.3 14.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 75.41 110.926 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' SER . 27.0 m 36.93 44.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 61.5 111.125 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.39 -24.98 59.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.871 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 t -116.12 -23.67 8.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -58.27 -22.94 54.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mp -92.77 15.48 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.88 -26.87 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.865 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.7 mmm -68.42 -25.34 64.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 63.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -54.41 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 pt20 -61.32 -30.23 70.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.5 -25.21 65.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.125 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.1 mmt -71.01 -39.62 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 63.13 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.77 -8.41 55.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.89 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 39' ' ' GLN . 3.1 t -131.49 66.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.154 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.77 -170.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.826 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 173.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.897 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.616 ' HB2' HG23 ' A' ' 49' ' ' VAL . 69.8 m-20 -144.36 176.01 9.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.887 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -66.93 -42.23 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 74.42 110.892 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.56 70.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.887 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 46' ' ' ASP . 95.3 t -59.12 -27.57 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 63.51 111.15 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.5 mt -67.5 -29.64 69.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -62.25 -41.21 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.965 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.59 80.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 42.52 111.079 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.56 -19.93 65.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -67.05 -40.17 87.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.826 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.682 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.05 -34.11 57.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.92 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.973 HG22 HD13 ' A' ' 92' ' ' LEU . 38.9 p -74.76 -46.78 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 65.44 111.17 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -53.63 -27.37 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.877 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.57 -40.24 96.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.934 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 12.28 21.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.69 74.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 53.4 110.845 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 96' ' ' ILE . 34.4 mt -129.15 131.4 23.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.678 0.751 . . . . 73.53 111.127 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.57 35.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 65.2 112.321 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -67.62 -10.16 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -75.72 -24.25 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.906 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -111.02 -23.05 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.936 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.735 ' CG2' HG21 ' A' ' 56' ' ' THR . 27.4 m -76.43 -37.64 56.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 64.21 111.203 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.575 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 13.3 mmm -50.9 -55.87 24.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.557 0.694 . . . . 53.04 110.896 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 67' ' ' MET . 53.5 Cg_endo -69.74 -17.22 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.27 . . . . 61.01 112.359 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' LYS . 6.9 t -81.64 -47.79 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.097 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD11 HG13 ' A' ' 49' ' ' VAL . 2.9 pp -70.86 -38.78 73.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 51.22 110.826 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.411 ' HG2' ' HA ' ' A' ' 68' ' ' PRO . 7.3 ptp -66.04 -24.79 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.918 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.12 -35.69 81.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 6.3 mt -73.36 -41.88 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 84' ' ' ILE . 2.3 mt -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.928 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.36 -50.47 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.855 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.5 -38.52 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.52 110.835 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.9 -16.09 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 62.43 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.58 -11.23 72.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.756 . . . . 23.04 112.469 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' A' ' 74' ' ' LEU . . . 114.29 46.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 70.01 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.79 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 72.14 110.826 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.52 ' CH2' HD11 ' A' ' 74' ' ' LEU . 95.7 m95 -72.39 -26.69 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 63.52 110.924 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.3 t -53.56 -54.66 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 52.24 110.817 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -76.42 -39.31 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.577 HD13 ' HG ' ' A' ' 74' ' ' LEU . 88.5 mt -62.63 -25.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 72.04 111.143 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 1.95 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 65.32 110.974 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tp -50.78 -30.05 13.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 52.3 110.947 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -121.01 27.13 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.886 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.91 41.93 3.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 64.15 110.895 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.702 ' CB ' HD23 ' A' ' 92' ' ' LEU . 16.3 m-85 62.35 38.0 13.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.957 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 m -51.83 -33.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 61.14 111.167 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 73' ' ' LEU . . . -51.29 -35.79 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.079 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 56' ' ' THR . 1.2 pp -65.89 -34.17 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.898 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 37.0 t -65.3 -49.19 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -74.82 -29.82 61.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 65.23 110.844 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -57.38 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.137 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 61' ' ' ILE . 40.9 mm -59.02 -35.46 57.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.54 111.166 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.22 -34.72 74.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -76.33 -54.95 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.424 HG12 ' NZ ' ' A' ' 65' ' ' LYS . 21.6 t -59.0 -53.58 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.163 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -50.93 -31.23 17.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -58.25 -50.31 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.849 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -130.5 125.36 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.881 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.95 -40.01 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 71.02 110.948 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -21.19 10.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 54.53 110.871 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -51.84 105.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.87 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.9 p -174.45 -175.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.848 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -112.49 -31.55 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 60.03 110.897 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.36 -157.99 14.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 71.23 112.465 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 42.3 110.848 -179.722 . . . . . . . . 0 0 . 1 stop_ save_