data_2dar_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 2dar _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 67' ' ' VAL . 7.2 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' LEU . 53.6 t -33.56 107.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 8.1 pt20 -96.36 175.52 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -135.88 166.53 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.27 138.87 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.39 110.41 16.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -67.92 109.52 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.46 128.62 37.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.637 0.732 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.37 24.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 149.01 43.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.62 -43.77 3.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -41.77 -62.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -148.82 151.75 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -125.94 66.65 59.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.73 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.756 2.304 . . . . 0.0 112.306 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 121.75 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -47.67 170.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.91 -39.8 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -76.8 -65.72 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -79.06 -26.0 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.23 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -127.27 140.58 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.95 131.05 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.9 122.5 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -88.33 -46.47 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.48 30.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.21 32.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 11.0 p90 -126.73 172.35 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.99 124.23 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.24 115.55 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.94 156.93 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.8 27.24 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.29 34.58 69.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -162.47 168.86 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.624 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 47.9 p -106.6 157.66 17.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.0 m95 -150.99 163.97 37.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -88.66 135.13 32.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 0.94 4.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -106.45 -28.52 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 47.9 mt-10 -97.98 -40.69 8.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 59.1 m-20 -135.89 160.94 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.77 171.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.45 -23.65 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 2.6 t-160 -107.39 -59.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 21.6 p -83.46 -1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' CYS . 16.1 mmmt 34.39 50.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -109.62 164.47 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -61.78 117.04 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.6 mtm -105.7 39.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.61 -56.08 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -78.95 -57.26 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 pt -61.81 172.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.58 -168.21 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 2.2 p90 -167.55 154.37 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 12' ' ' LEU . 97.3 t -128.52 129.92 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.82 141.57 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -157.37 105.75 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 53.28 42.52 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.32 50.21 8.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . . . -157.85 124.32 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.29 121.67 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 72' ' ' ALA . 88.6 m-85 -119.05 122.49 42.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.6 p -62.58 148.9 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' CYS . 4.7 pt-20 -38.0 -41.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.67 -60.42 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 56.7 m -54.49 -49.79 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.684 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -54.94 -64.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.85 -23.64 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.83 -48.37 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 46.3 m-85 -88.12 -56.67 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 19.6 m-85 -57.65 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' ' HA3' ' A' ' 65' ' ' GLY . 69.7 t -34.57 113.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.29 -179.57 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm105 -139.42 117.79 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.97 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.66 108.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -67.84 106.3 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 39' ' ' PHE . 24.3 mm -97.57 124.98 46.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 173.32 11.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.39 34.08 79.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -126.42 -66.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -137.09 141.87 42.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -116.63 61.58 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 168.33 21.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.34 118.71 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -44.75 166.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.63 -31.57 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.76 -69.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 p -76.89 -26.66 54.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.2 t30 63.84 49.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -124.7 135.51 53.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -46.2 131.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 48' ' ' HIS . 11.2 mt -101.85 129.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -99.98 -53.4 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.54 -156.81 5.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.13 39.6 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 19' ' ' ILE . 46.2 p90 -131.94 174.63 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.28 122.51 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.27 113.04 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.76 166.33 28.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 43' ' ' LEU . 4.1 mm? 46.64 31.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.01 35.82 91.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -160.46 170.78 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -110.13 146.03 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' N ' ' CD1' ' A' ' 47' ' ' TRP . 1.4 m95 -140.77 163.46 32.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.0 m80 -85.99 138.28 35.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.535 0.683 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -6.57 18.96 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.31 -28.14 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -92.99 -41.75 9.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -45.24 106.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -147.5 150.06 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.41 174.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.79 -17.22 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -105.06 -63.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.3 p -79.25 -16.01 57.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 53.14 46.75 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -111.62 161.85 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.2 t -54.7 120.52 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.434 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 32.0 mtm -108.14 41.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.7 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.78 36.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 61' ' ' MET . 8.5 pt -150.39 177.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -107.71 145.13 16.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -127.94 165.65 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.71 136.01 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -88.85 124.55 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -154.56 119.45 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 54.98 48.84 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.23 37.62 81.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.33 131.99 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -96.33 124.58 40.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -120.8 130.81 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.4 p -67.79 152.27 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 8.9 pt-20 -43.58 -39.01 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 10.0 mt -57.68 -54.34 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -61.16 -57.58 11.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.749 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 9.4 t80 -52.33 -57.21 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.07 -20.79 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -87.23 -46.75 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -84.17 -61.89 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 13.4 m-85 -54.6 -69.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD13 ' CG1' ' A' ' 67' ' ' VAL . 1.7 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 93.3 t -35.82 120.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.78 176.35 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -148.95 138.83 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.99 132.14 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.17 119.3 19.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.36 105.35 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 mm -92.69 126.05 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.31 35.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.6 154.87 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 81.22 -47.57 3.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 12.8 tppt? -37.06 -56.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -152.26 152.3 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.5 p -125.31 65.55 50.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 mmt -112.48 123.97 51.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 t -49.91 131.95 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.42 19.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -129.66 -45.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.91 -7.13 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.7 t30 57.51 32.93 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -104.71 136.93 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.82 119.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.409 HG12 ' NE2' ' A' ' 48' ' ' HIS . 28.5 mt -87.84 122.12 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.95 -54.34 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.31 -161.14 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.89 24.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 8.0 p90 -125.94 172.85 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.85 132.95 56.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.18 115.3 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.28 165.02 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 42.83 36.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 40.94 99.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.03 174.88 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 49.3 p -109.95 161.58 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -159.73 156.36 27.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.409 ' NE2' HG12 ' A' ' 35' ' ' ILE . 3.9 m170 -77.79 135.63 63.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.38 -18.03 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -103.16 -42.29 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.25 103.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -141.39 162.89 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.1 t -57.85 171.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.72 -25.29 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -103.25 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.24 -7.03 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 45.54 44.19 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.88 150.79 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -54.48 117.46 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 mtm -103.32 45.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.31 -52.93 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -87.28 -41.87 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 pt -72.57 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.71 -169.27 42.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -168.18 154.8 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 12' ' ' LEU . 15.3 t -129.91 129.94 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -85.96 120.8 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 70' ' ' LYS . 14.6 tm-20 -148.94 135.89 19.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 24.9 mmtp 39.64 45.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 42.06 99.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.67 137.25 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -100.76 116.22 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -114.21 129.82 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.98 150.78 48.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.63 -30.5 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.83 -43.39 83.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.29 -53.27 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.642 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 10.6 t80 -50.51 -57.88 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.23 -27.58 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -78.25 -48.53 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -84.53 -61.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 15.1 m-85 -59.3 -64.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' H ' ' CD2' ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -38.05 126.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -103.82 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -153.37 128.67 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.41 136.3 40.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.29 117.54 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.18 129.1 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.445 HG22 ' CE2' ' A' ' 39' ' ' PHE . 21.8 mm -119.74 123.77 28.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.99 32.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.67 49.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.62 -41.96 3.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -42.53 -43.24 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -172.03 156.23 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.9 p -127.71 70.79 77.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.88 122.04 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -51.96 166.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 47' ' ' TRP . . . -103.29 -30.16 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -87.45 -67.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -75.06 -18.01 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.5 t30 52.13 50.66 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -130.82 143.02 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.2 133.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -99.25 120.89 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -89.66 -43.73 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.57 -159.63 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.18 24.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.4 p90 -122.97 177.72 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 mt -121.94 148.39 44.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.58 114.52 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.67 -74.72 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.8 mm? -81.97 73.92 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.16 37.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' LEU . 17.3 ttmt -154.44 170.64 20.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -111.21 132.64 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 29' ' ' ALA . 3.8 m95 -130.77 145.84 52.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.32 139.88 89.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.705 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.13 15.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.67 -29.96 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -89.55 -44.62 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.21 99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -138.96 162.23 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.69 171.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.84 -11.75 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -120.17 -60.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.1 p -79.03 -7.97 58.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 38.6 52.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 171.03 7.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 t -70.02 114.78 8.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.2 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.95 -39.98 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -53.1 177.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.36 -171.69 36.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 4.0 p90 -169.04 163.18 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -134.39 136.33 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -90.0 121.59 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -146.36 123.65 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 47.76 49.64 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.94 41.65 97.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.58 133.91 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 66' ' ' PHE . 96.4 mt -100.13 120.03 39.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -117.92 125.05 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.61 155.83 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -46.62 -36.12 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.4 mt -60.86 -57.05 14.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.32 -49.04 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 24.8 t80 -56.19 -65.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -49.38 -32.85 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -64.09 -46.96 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -93.03 -60.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.2 m-85 -54.5 -63.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 92.9 t -34.73 119.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -114.0 178.34 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -137.68 121.24 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.08 135.33 41.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -76.38 122.91 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -79.09 111.44 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -96.52 122.18 58.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 170.34 16.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.271 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 153.62 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 42.36 43.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -130.6 -56.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 25' ' ' THR . 13.2 ttm180 -154.18 146.64 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 36.2 p -111.19 65.78 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.71 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.4 mmt -92.22 120.94 33.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.97 132.19 41.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.33 16.92 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -123.33 -48.78 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -106.82 -15.19 14.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.01 39.34 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -120.72 136.81 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -52.83 127.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.415 HG12 ' NE2' ' A' ' 48' ' ' HIS . 49.4 mt -94.76 121.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -89.28 -53.44 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.16 -159.61 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 133.34 25.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 12.4 p90 -124.13 172.16 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 16.4 mt -114.97 145.42 42.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.76 114.78 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.5 -66.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? -80.69 40.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.23 -37.78 2.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -88.37 172.18 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p -102.28 144.47 30.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -138.11 143.06 40.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.415 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.2 m80 -63.46 137.34 97.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 -9.15 25.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -102.2 -39.79 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASN . 75.9 mt-10 -79.71 -46.62 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -42.55 96.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' GLU . 44.5 m-20 -133.01 175.72 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.02 -178.57 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.87 -30.67 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -101.45 -61.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.6 p -77.46 -13.39 59.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt 44.02 50.37 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -112.61 154.74 25.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -51.39 120.46 5.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -106.85 42.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.45 -58.64 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.63 -60.02 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.8 pt -50.88 170.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.49 -166.32 40.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -170.71 158.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -139.43 124.28 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 17.0 tt0 -86.21 121.52 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' LYS . 2.2 tp10 -145.94 139.46 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 34.5 42.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.93 52.34 29.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . . . -162.55 133.87 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 111.12 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -101.07 116.49 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 72' ' ' ALA . 72.0 m-85 -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.71 152.1 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -41.56 -38.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.05 -64.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.8 m -50.64 -53.27 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 83' ' ' PHE . 3.3 t80 -54.79 -60.54 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -48.41 -27.2 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -78.25 -61.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -69.56 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 33.2 m-85 -54.27 -69.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.1 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 60.6 t -34.03 118.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -102.77 -176.43 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -149.48 121.49 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.44 123.81 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.19 105.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.37 105.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.85 122.98 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.9 15.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 153.51 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.47 44.07 51.82 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -133.61 -55.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -150.95 145.99 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -117.3 65.97 4.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.51 0.671 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 mmt -118.86 125.09 48.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.9 t -53.76 141.29 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.553 ' HB1' ' CZ3' ' A' ' 47' ' ' TRP . . . -89.03 20.61 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -133.03 -53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 p -98.27 -12.46 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.05 30.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -110.29 137.87 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -52.78 139.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 48' ' ' HIS . 38.2 mt -103.13 129.04 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -97.25 -52.82 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 -158.76 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 135.9 31.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -130.49 176.41 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.79 127.3 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.94 118.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.8 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 52.64 25.83 3.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.8 34.59 62.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -158.08 171.5 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -113.72 145.04 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.553 ' CZ3' ' HB1' ' A' ' 29' ' ' ALA . 4.2 m95 -135.23 165.51 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 35' ' ' ILE . 4.1 m170 -90.02 133.96 32.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -107.94 -28.44 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 46.0 mt-10 -101.05 -38.73 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.98 95.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 4.3 p30 -136.69 166.28 23.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.21 174.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.48 -28.89 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -100.05 -58.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.6 p -80.72 -10.18 59.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt 43.0 48.48 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.56 151.79 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -44.68 127.96 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.4 mtm -117.0 39.61 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.4 -58.35 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -73.12 -45.04 59.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.1 pt -77.27 175.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -167.5 39.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.442 ' CD1' HD22 ' A' ' 73' ' ' LEU . 6.2 p90 -170.16 150.18 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.2 t -118.07 128.71 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.76 109.19 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -141.16 122.05 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 53.63 45.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.26 46.33 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.62 134.01 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 66' ' ' PHE . 70.3 mt -100.55 114.27 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -111.93 122.38 47.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.8 p -61.53 152.4 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -44.04 -38.23 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.78 -56.13 26.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.4 m -58.26 -58.59 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 7.8 t80 -53.09 -59.13 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -51.29 -18.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -91.14 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.04 -61.07 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 m-85 -57.93 -73.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD23 ' CZ ' ' A' ' 79' ' ' TYR . 1.7 pt? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.51 135.54 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.39 178.41 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -145.54 123.96 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 152.26 39.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.23 112.94 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -62.87 123.11 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -114.62 124.08 31.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.48 34.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 161.3 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 -48.26 3.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -52.46 -40.4 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.303 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -161.69 139.12 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 35' ' ' ILE . 28.3 p -132.49 61.34 56.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 171.96 13.51 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.01 125.35 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -48.92 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.97 -46.02 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -72.31 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -77.64 -18.63 56.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.8 t30 56.93 44.84 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -122.36 138.32 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.24 131.86 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' THR . 14.2 mt -93.43 115.85 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -85.71 -46.98 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.21 -159.16 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 135.89 31.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 12.8 p90 -125.74 176.69 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 52' ' ' PHE . 8.2 mt -117.38 138.27 51.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.93 112.41 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.75 -75.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.5 mm? -79.88 72.57 6.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.73 42.25 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -162.89 171.1 17.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -109.99 134.89 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -130.69 141.2 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.476 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 3.9 m80 -67.43 137.06 93.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.23 -44.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -84.75 -42.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD2' HD12 ' A' ' 40' ' ' LEU . 10.5 t80 -41.58 92.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.3 p30 -137.3 167.01 22.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.48 178.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.06 -26.07 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -101.37 -61.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -77.58 -14.1 59.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 50.11 45.46 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -110.23 149.04 30.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 125.5 11.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -111.42 41.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.3 -45.87 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -92.28 -63.42 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.9 pt -48.37 168.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.96 -164.97 38.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 3.6 p90 -170.76 162.83 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 66' ' ' PHE . 39.8 t -142.33 127.71 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.17 123.21 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' LYS . 3.8 tp10 -152.57 139.46 19.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 3.1 mmmp? 37.41 41.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.48 55.03 22.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.38 141.73 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -104.92 121.56 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.64 128.34 55.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.9 p -67.28 143.68 56.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 15.1 pt-20 -35.64 -41.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 72.6 mt -56.79 -55.54 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.11 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -55.11 -65.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -49.88 -34.65 20.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -61.83 -47.99 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -92.82 -60.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 26.4 m-85 -52.27 -59.89 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.8 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.6 t -33.3 123.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mt-30 -114.32 177.32 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -146.11 121.14 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.32 122.62 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.4 111.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.6 114.68 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.2 mm -106.63 129.43 24.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.38 34.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.29 174.62 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.6 47.57 23.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -56.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . 31.5 mtt180 -127.45 -35.52 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 59.1 p 44.88 47.93 4.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 25' ' ' THR . 53.6 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -89.15 131.19 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -55.05 165.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.22 -31.55 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -82.38 -68.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 p -73.93 -30.99 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 73.2 51.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -137.82 133.62 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 35' ' ' ILE . 7.2 p -43.16 139.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' N ' HG22 ' A' ' 34' ' ' VAL . 4.5 mt -107.13 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -59.26 -58.73 7.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.84 -161.83 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.95 39.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CB ' HD12 ' A' ' 35' ' ' ILE . 20.2 p90 -125.74 174.51 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.65 132.5 55.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.51 114.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.03 146.17 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.05 25.01 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.0 53.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -108.44 172.38 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.9 p -108.55 160.84 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -153.29 159.51 42.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.409 ' NE2' HG12 ' A' ' 35' ' ' ILE . 10.2 m80 -82.69 138.63 43.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.721 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -7.13 20.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.46 -21.81 11.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -98.5 -30.07 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.89 102.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -133.82 173.25 11.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.61 -179.95 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.35 -24.64 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -104.67 -61.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.51 -16.82 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm 49.27 45.94 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.45 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 t -73.86 116.06 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 mtm -106.74 43.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.03 -47.39 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.8 -51.53 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD13 ' CB ' ' A' ' 75' ' ' CYS . 14.1 pt -61.08 174.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.26 -172.77 41.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 25.4 p90 -165.11 151.3 10.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.98 126.68 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -86.31 126.24 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -147.03 117.75 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 47.53 49.18 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.91 50.12 59.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.22 129.09 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.78 136.48 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.04 123.22 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.6 p -61.66 144.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.9 pt-20 -35.75 -40.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 73.4 mt -56.72 -61.98 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.5 m -53.79 -46.26 71.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 5.2 t80 -60.23 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.03 -19.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -78.87 -54.24 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 84' ' ' ALA . 26.1 m-85 -96.51 -62.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 10.9 m-85 -43.24 -23.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD11 ' CG1' ' A' ' 67' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' LEU . 73.4 t -35.12 119.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -108.7 173.3 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -139.69 138.25 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 130.42 35.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.17 110.04 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.58 122.18 14.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -114.96 121.79 34.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.12 17.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 151.98 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.71 -50.62 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -40.13 -50.09 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -162.32 149.11 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.9 p -124.44 67.52 47.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.73 163.92 36.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.06 123.15 33.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.05 160.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.55 -19.34 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -96.17 -62.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -81.03 -16.92 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.87 38.94 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -122.25 132.46 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -49.02 135.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 mt -94.07 105.79 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -87.75 30.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.05 -156.99 8.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.09 15.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 40.3 p90 -127.6 173.26 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.4 122.82 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.48 113.44 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.93 146.08 30.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 62.79 26.31 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.69 5.12 86.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -130.53 175.0 9.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.652 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 39.3 p -112.6 163.53 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.2 m95 -158.98 149.03 19.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -70.94 137.16 84.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -7.63 21.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.15 -20.49 14.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 96.5 mt-10 -102.4 -39.8 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -46.57 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLU . 62.5 m-20 -134.14 150.95 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -48.35 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.96 -14.64 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -116.37 -59.04 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.6 p -83.08 -4.45 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 39.87 36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.42 164.73 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -60.71 121.79 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.7 mtm -112.48 36.85 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.51 -51.75 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -84.05 -46.51 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 pt -70.27 170.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -165.16 40.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -170.42 159.95 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 12' ' ' LEU . 21.4 t -132.71 129.79 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -88.2 123.72 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -148.03 127.24 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.6 mttt 41.6 51.64 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.28 48.32 86.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . . . -155.53 137.1 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -103.88 121.58 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 72' ' ' ALA . 57.3 m-85 -122.48 124.29 43.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.7 p -61.74 153.09 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -41.99 -39.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -58.71 -63.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -49.5 -52.84 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.6 t80 -58.32 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -52.53 -19.27 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -80.48 -48.7 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -90.51 -55.9 3.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 79' ' ' TYR . 17.4 m-85 -55.8 -59.69 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.41 HD22 ' CG1' ' A' ' 67' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -37.41 122.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -119.51 172.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -135.76 122.36 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.75 135.91 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.47 114.36 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -67.1 105.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 mm -96.32 123.71 53.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.6 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.27 150.28 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 76.09 -55.11 3.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 8.0 tptt -37.29 -37.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -159.37 141.48 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -134.96 61.33 46.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.554 0.692 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.53 121.63 45.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -47.54 165.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.61 -36.39 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -78.31 -67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -77.39 -29.51 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 67.45 49.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -127.4 139.92 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.4 p -48.59 136.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 mt -104.71 122.2 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -90.66 -54.38 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.22 -157.45 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 145.76 58.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' OG ' ' A' ' 46' ' ' SER . 41.2 p90 -140.02 -177.08 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.52 120.49 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.77 111.1 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.41 149.06 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 61.34 25.03 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.4 -24.53 13.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -109.06 175.51 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.497 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 m -117.57 165.22 13.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 1.4 m95 -148.46 166.05 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -84.48 134.38 42.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.2 4.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -105.92 -30.98 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.36 -40.46 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -41.51 105.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.78 157.48 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.95 178.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.24 -25.86 13.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -106.77 -61.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LYS . 22.4 p -79.33 -2.75 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.9 mmtm 36.86 47.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.2 161.62 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 t -59.86 121.38 11.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.8 mtm -107.23 39.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.53 -51.74 5.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -85.63 -64.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.3 pt -50.27 170.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.11 -166.95 43.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 6.4 p90 -168.84 158.54 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' HD22 ' A' ' 12' ' ' LEU . 83.7 t -135.08 127.45 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.14 130.29 34.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -152.93 124.21 7.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 48.14 43.48 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.04 51.88 46.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.96 134.71 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.81 137.12 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -139.17 122.27 16.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.2 p -58.55 156.18 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -44.45 -37.61 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.71 -60.96 2.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 65.3 m -55.16 -48.28 73.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.74 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 17.9 t80 -55.46 -63.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.35 -35.14 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -63.58 -48.35 77.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.93 -61.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.74 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 19.7 m-85 -54.2 -66.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 67' ' ' VAL . 12.5 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 t -36.79 138.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -123.44 168.79 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -137.56 132.22 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.62 119.25 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -58.05 120.75 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 3.4 m-70 -71.2 104.76 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.424 HD12 ' CD ' ' A' ' 17' ' ' GLU . 48.5 mm -94.73 124.83 53.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.67 9.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.67 147.41 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 85.12 -54.55 4.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' GLY . 22.1 tptp -36.63 -39.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.7 mtt180 -167.95 144.16 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -134.96 62.54 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.494 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 176.51 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ttm -91.53 127.84 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' ' 30' ' ' HIS . 4.5 t -46.09 172.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 -40.28 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 2.7 p-80 -85.34 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 15.5 p -69.96 -22.02 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 60.28 42.26 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -121.04 140.29 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 116.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 48' ' ' HIS . 9.5 mt -74.61 111.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -90.07 51.69 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.55 -153.74 19.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 132.65 23.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -133.04 178.11 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.91 118.86 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.52 164.19 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 1.9 mm? 48.9 25.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.54 45.04 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -174.65 168.5 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.8 p -103.77 153.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' SER . 4.7 m95 -147.51 151.91 37.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 3.5 m80 -76.88 135.83 67.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.58 3.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -106.76 -38.9 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 30' ' ' HIS . 27.3 mt-10 -86.97 -43.04 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.93 99.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.18 166.43 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.32 174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.06 -25.09 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -102.96 -60.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.88 -10.34 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 42.16 51.23 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -112.51 153.23 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -50.36 116.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.0 mtm -104.31 43.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 -46.56 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -87.94 -45.0 10.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.4 pt -74.7 170.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.34 -174.51 50.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -160.87 158.69 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 12' ' ' LEU . 61.7 t -134.27 128.11 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 25.4 tt0 -88.21 121.24 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -147.3 117.97 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 51.78 45.27 28.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.36 49.18 67.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.85 122.5 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.73 118.42 30.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' VAL . 79.2 m-85 -117.6 130.39 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.4 157.6 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.0 -35.46 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.77 -50.81 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 t80 -52.75 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -50.19 -35.74 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -63.62 -50.83 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -86.45 -62.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.576 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 24.8 m-85 -55.2 -65.4 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 5.2 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.917 0.389 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 76.3 t -34.22 117.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -111.57 175.81 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -144.41 123.15 12.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.55 126.79 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.17 107.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.01 107.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -97.02 122.62 55.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.575 0.702 . . . . 0.0 111.186 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 145.7 54.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.79 -40.75 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -42.66 -68.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.3 158.47 44.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -127.21 58.49 30.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 160.18 50.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.98 130.1 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -49.15 166.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -100.37 -32.93 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -84.42 -71.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -74.43 -22.29 59.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.0 t30 60.66 51.23 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -123.19 133.6 54.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.02 133.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.2 mt -103.6 129.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -96.27 -53.26 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.56 -156.16 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.26 64.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.7 p90 -144.13 177.08 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 119.79 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -100.71 111.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.58 150.05 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 61.62 38.32 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.9 40.08 98.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.8 pttm -172.08 171.04 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.534 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m -120.88 147.14 45.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.522 ' CZ2' ' HD2' ' A' ' 45' ' ' LYS . 1.2 m95 -131.52 166.21 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 2.6 m80 -81.74 129.18 66.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 5.09 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.35 -31.43 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -102.02 -38.19 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.95 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -138.38 172.25 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 5.3 t -67.25 171.67 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.89 -14.05 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -114.05 -45.68 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -104.26 -3.14 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 3.2 mptt 44.13 41.98 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.94 148.52 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -46.35 111.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.455 ' HE3' ' CB ' ' A' ' 73' ' ' LEU . 35.0 mtm -100.54 39.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.39 -63.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -77.7 -54.45 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 pt -56.63 169.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.55 -173.51 49.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -165.92 151.03 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.56 127.62 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -86.2 125.57 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -158.89 126.24 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 50.5 46.83 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.21 54.06 40.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.1 134.96 3.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CB ' ' HE3' ' A' ' 61' ' ' MET . 64.4 mt -102.3 122.38 44.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -113.33 128.59 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' GLU . 29.8 p -66.46 140.45 58.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' CYS . 16.9 pt-20 -34.12 -38.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' CYS . 27.1 mt -58.97 -57.71 11.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -55.29 -59.44 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 2.2 t80 -52.75 -51.61 59.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.4 -24.13 63.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -86.85 -31.24 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -98.13 -61.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 6.7 m-85 -59.11 -74.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.092 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 67' ' ' VAL . 2.0 pt? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.1 t -40.49 119.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -87.5 -178.94 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -153.66 145.04 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 125.87 43.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.02 121.34 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -70.4 116.29 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.549 HG22 ' CE1' ' A' ' 39' ' ' PHE . 30.5 mm -103.14 130.91 22.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.72 29.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.12 153.27 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.77 -48.18 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 tmtt? -47.78 -41.94 24.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -150.13 137.15 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -135.06 58.82 29.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.77 2.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -49.64 171.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.69 -44.96 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -72.69 -63.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -81.45 -25.45 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.2 t30 61.54 46.09 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -124.53 141.38 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.8 127.68 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 48' ' ' HIS . 24.6 mt -95.63 103.23 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm105 -75.82 -37.38 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.41 -168.96 43.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.89 11.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CE1' HG22 ' A' ' 19' ' ' ILE . 52.8 p90 -109.09 178.72 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.68 121.5 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 19' ' ' ILE . 1.4 p -105.63 113.22 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.77 -69.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.8 mm? -87.45 74.48 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 36.66 28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' LEU . 47.1 mtmt -150.48 168.98 22.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.54 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 95.9 p -110.79 128.86 55.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 47' ' ' TRP . 2.8 m95 -124.63 141.56 52.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.4 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.2 m80 -63.61 138.94 97.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.02 13.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.12 -39.44 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ASN . 82.9 mt-10 -83.44 -44.27 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -44.17 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLU . 70.5 m-20 -135.3 163.9 28.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.35 176.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.07 -27.52 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -101.84 -60.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.0 p -80.98 -6.9 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp 38.5 48.66 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -111.62 158.17 19.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -53.95 123.88 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.8 mtm -112.61 42.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.81 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -68.6 -62.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 65' ' ' GLY . 2.2 pp -61.59 168.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 64' ' ' ILE . . . -100.33 172.75 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' HD21 ' A' ' 73' ' ' LEU . 34.5 p90 -141.53 177.78 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 12' ' ' LEU . 46.3 t -138.02 128.0 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -86.72 122.01 30.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.82 112.77 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 41.12 39.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.28 46.24 5.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.575 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . . . -153.32 122.63 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD21 ' CE1' ' A' ' 66' ' ' PHE . 55.2 mt -98.03 122.01 40.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 72' ' ' ALA . 77.8 m-85 -126.31 127.41 45.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.2 p -61.21 147.46 44.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.94 -25.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.53 -51.68 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.41 -51.34 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 25.4 t80 -49.53 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.44 -30.71 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -71.29 -45.16 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -92.8 -62.27 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 9.7 m-85 -55.6 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' VAL . 23.3 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.832 0.349 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' LEU . 48.0 t -34.71 124.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.574 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 9.8 pt20 -113.99 153.04 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 162.51 22.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.21 144.55 31.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.56 112.57 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -59.16 123.95 18.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 39' ' ' PHE . 47.0 mm -117.15 123.96 29.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 174.36 9.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 155.48 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 77.07 -50.04 3.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' GLY . 32.6 tttt -34.03 -48.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' THR . 32.9 ttm-85 -164.91 147.17 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 72.9 p -122.49 70.52 35.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.82 -177.68 2.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.06 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.36 171.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.3 -46.16 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -74.74 -63.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -79.56 -19.38 49.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 51.36 48.97 21.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -123.46 137.53 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.86 122.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 48' ' ' HIS . 12.4 mt -92.09 117.97 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -85.29 -55.23 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.04 6.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 137.45 35.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 32.7 p90 -127.67 175.9 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -118.63 156.64 28.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.13 113.69 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 -62.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.0 mm? -87.68 75.11 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 30.86 38.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' LEU . 24.3 mtmm -158.66 174.83 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -113.27 128.5 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -126.69 136.42 52.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.7 m80 -62.61 141.11 96.95 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -12.15 32.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.49 -35.01 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASN . 68.7 mt-10 -84.23 -46.16 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 90.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . 47.3 m-80 -131.36 145.18 51.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.507 ' N ' ' SD ' ' A' ' 61' ' ' MET . 12.3 t -46.88 168.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.46 -14.87 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -108.25 -51.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.75 -6.61 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER 45.49 53.51 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -117.47 142.39 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -49.99 123.95 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -108.39 39.06 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.07 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -92.56 -44.54 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' CG1' ' HA ' ' A' ' 61' ' ' MET . 17.3 pt -73.62 173.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.32 -170.15 40.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.491 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 6.4 p90 -166.63 169.17 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 79' ' ' TYR . 95.3 t -140.53 123.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -86.35 127.11 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -155.46 123.73 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttm 52.9 35.8 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.4 43.76 44.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.03 128.48 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -97.02 122.94 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -116.34 127.18 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.8 p -64.24 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 75' ' ' CYS . 15.5 pt-20 -32.83 -41.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.96 -58.89 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.96 -46.3 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 4.3 t80 -59.27 -67.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -50.83 -28.53 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -66.68 -53.64 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -87.72 -60.3 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.579 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 31.3 m-85 -51.76 -59.64 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 13' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' LEU . 54.0 t -30.66 117.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 68.3 mt-30 -97.41 175.06 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -144.17 121.11 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.77 124.25 23.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.11 123.89 21.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.29 119.8 15.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.3 mm -113.22 124.41 31.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.55 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 161.05 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.68 -46.87 2.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -171.67 146.72 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.1 p -118.92 72.37 11.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.557 0.694 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.77 176.48 6.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.447 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.45 117.63 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.57 168.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB2' ' CZ3' ' A' ' 47' ' ' TRP . . . -106.02 -42.49 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -72.77 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.2 p -81.42 -27.15 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 62.83 46.92 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -125.2 135.04 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.447 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 5.9 p -43.39 140.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 48' ' ' HIS . 5.6 mt -108.8 113.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -80.56 -47.74 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.27 -158.7 21.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.28 30.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 26' ' ' PRO . 47.3 p90 -122.21 171.7 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 9.0 mt -115.75 159.06 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -147.04 116.21 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -132.59 -66.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -87.36 74.05 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.73 33.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LEU . 26.0 mttm -152.73 171.47 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.3 p -109.16 138.94 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 29' ' ' ALA . 3.2 m95 -139.54 132.01 28.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.4 m80 -53.92 142.24 45.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.78 -19.72 35.67 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -94.33 -37.58 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.8 tt0 -77.76 -47.19 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -47.48 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' GLU . 64.0 m-20 -127.95 178.06 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.35 175.3 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.91 -29.65 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -100.65 -61.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.11 -7.85 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 39.24 49.7 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -107.51 160.84 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 t -56.0 114.86 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 39.9 mtm -102.84 41.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.38 -54.54 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -80.85 -59.04 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.2 pt -58.86 171.06 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.52 -165.21 40.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 73' ' ' LEU . 18.4 p90 -164.86 169.41 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' A' ' 12' ' ' LEU . 58.5 t -140.64 128.8 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -85.55 127.81 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -151.95 121.92 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt 42.8 40.6 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.64 48.25 18.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.75 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 66' ' ' PHE . 92.3 mt -102.8 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -108.25 128.1 54.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' GLU . 30.0 p -61.36 140.89 57.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' CYS . 9.0 pt-20 -35.83 -37.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.98 -56.31 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.61 -58.38 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 12.9 t80 -48.02 -62.63 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.41 -38.76 59.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -58.79 -38.61 78.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -100.72 -63.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.4 m-85 -50.36 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 43.5 tp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.4 t -33.34 122.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -102.77 -179.28 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -147.1 132.61 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.84 144.11 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -87.05 112.32 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.07 116.76 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.49 121.63 42.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.84 15.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.62 164.99 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 23' ' ' LYS . . . 69.8 20.74 76.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -114.01 -63.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.321 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -143.61 142.82 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 p -115.76 68.49 3.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -112.58 118.23 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.1 170.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.25 -48.4 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -74.07 -60.68 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.92 -24.42 41.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 56.19 47.4 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -122.76 136.63 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.6 p -45.39 134.38 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 mt -102.15 126.14 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -98.53 -49.35 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -157.34 12.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.63 28.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.48 167.57 16.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 52' ' ' PHE . 10.2 mt -111.48 152.92 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.3 113.25 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.95 -63.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -89.11 74.16 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.1 34.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.448 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LEU . 32.1 mtmt -153.22 171.26 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -110.17 132.42 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -129.04 136.63 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.475 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 4.8 m80 -64.6 137.62 97.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 8.5 pt-20 -101.27 -48.3 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 pt-20 -81.85 -42.48 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' A' ' 40' ' ' LEU . 12.3 t80 -42.84 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.8 p30 -138.9 174.11 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 61' ' ' MET . 2.0 t -67.57 179.24 1.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 -31.06 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -100.23 -59.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HB2' ' ND2' ' A' ' 59' ' ' ASN . 19.5 p -78.94 -10.25 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 40.33 46.52 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 57' ' ' CYS . 65.7 m-20 -106.15 156.09 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -49.43 114.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 54' ' ' CYS . 29.3 mtm -104.3 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.57 -53.52 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.89 171.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.87 -166.23 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.3 160.5 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' TYR . 85.9 t -138.52 124.08 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.77 115.72 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -138.1 124.87 21.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.11 46.57 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.74 57.11 10.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 74' ' ' TYR . . . -167.42 127.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -94.59 123.13 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.9 m-85 -120.81 129.18 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' GLU . 29.6 p -66.19 148.95 51.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' CYS . 11.4 pt-20 -38.24 -39.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.39 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.2 m -55.41 -54.64 41.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.789 ' CD2' ' CD2' ' A' ' 83' ' ' PHE . 11.0 t80 -49.27 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -46.57 -48.5 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -46.12 -50.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -91.01 -63.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.789 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 22.5 m-85 -47.89 -59.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.5 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' LEU . 69.4 t -33.72 114.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 2.2 pt20 -127.88 161.44 29.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -125.17 145.03 50.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.95 134.87 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 9.8 tp10 -68.14 119.0 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -74.01 105.05 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.459 HG22 ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm -94.34 133.52 27.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 166.15 28.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.84 148.74 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.47 33.23 23.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.1 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 32.9 mtt180 -120.4 -46.56 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 62.2 p 50.49 50.58 9.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 25' ' ' THR . 54.2 Cg_endo -69.76 168.31 21.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -84.39 129.36 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.64 168.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.23 -33.81 9.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -82.78 -65.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -76.49 -26.15 54.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.44 53.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -136.13 137.07 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.6 136.23 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.514 HG23 ' CD2' ' A' ' 48' ' ' HIS . 5.8 mt -103.07 94.28 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -54.24 -63.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.85 -161.57 1.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.8 26.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CE1' HG22 ' A' ' 19' ' ' ILE . 50.6 p90 -111.08 175.49 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mt -120.9 125.03 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.3 p -102.37 114.81 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.47 149.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 55.8 40.82 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.73 41.81 90.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -168.23 157.89 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.7 p -98.99 155.97 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.4 m95 -149.29 161.69 41.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CD2' HG23 ' A' ' 35' ' ' ILE . 6.5 m80 -81.33 137.53 48.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.11 22.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.18 -27.28 9.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -92.64 -38.65 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.23 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.69 177.41 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.0 t -77.47 174.69 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.85 -24.57 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -109.86 -52.52 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.5 p -97.81 11.55 36.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 22.17 50.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.0 p-10 -103.17 159.81 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 t -53.66 118.18 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -109.74 41.37 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.35 -56.32 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -83.58 -45.13 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD12 ' CB ' ' A' ' 75' ' ' CYS . 9.8 pt -69.33 172.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.26 -176.38 43.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 3.3 p90 -162.3 161.9 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 79' ' ' TYR . 86.2 t -134.94 126.58 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.84 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -149.38 106.47 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm 56.29 39.65 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.45 45.52 11.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 74' ' ' TYR . . . -153.45 125.87 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -100.4 116.71 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.436 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 70.0 m-85 -114.75 125.6 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.443 ' CB ' HD12 ' A' ' 64' ' ' ILE . 28.9 p -59.58 154.74 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.7 pt-20 -45.05 -36.26 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 17.9 mt -62.16 -53.59 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.77 -40.35 94.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 4.4 t80 -63.05 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 84' ' ' ALA . 30.8 tp10 -49.59 -18.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -79.51 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -99.09 -57.49 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 12.5 m-85 -44.75 -63.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 79.5 t -34.19 124.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 30.2 mt-30 -111.74 -174.87 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -149.35 122.66 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.72 123.07 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -67.3 116.35 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -68.4 107.67 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 HG23 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -94.93 125.16 51.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.57 27.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.333 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 150.54 44.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.1 -51.81 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -38.73 -60.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.33 153.82 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -131.59 66.79 79.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.69 155.69 65.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 tpt -76.35 122.48 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.77 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.13 -37.41 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -76.94 -66.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.2 -17.57 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 61.76 34.02 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -112.18 142.84 44.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.51 125.98 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 39' ' ' PHE . 12.8 mt -89.24 115.01 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -83.51 -53.13 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.07 -154.07 6.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.19 37.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 35.8 p90 -130.27 172.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -117.63 125.34 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.87 111.94 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.87 23.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 42.35 35.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.22 39.1 97.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -164.1 175.05 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 25.8 p -112.74 159.37 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.7 m95 -154.67 159.88 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -83.86 135.45 42.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -106.67 -25.41 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -99.85 -39.75 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -44.66 97.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -128.88 173.8 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.3 t -77.65 172.53 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.72 -23.43 18.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -111.85 -54.74 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.9 p -94.16 10.33 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 21.47 53.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.5 p-10 -106.0 161.16 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -59.6 112.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -102.94 38.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.13 -52.07 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -82.1 -50.47 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 pt -68.99 175.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.65 -168.5 44.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 14.5 p90 -171.0 156.97 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.5 t -135.1 130.76 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -91.22 122.9 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -152.68 122.56 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt 59.11 44.25 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.47 53.33 46.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB1' ' CE2' ' A' ' 74' ' ' TYR . . . -165.86 142.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.6 123.69 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 64.6 m-85 -119.8 126.56 51.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.4 p -62.1 146.24 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -39.32 -36.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 17.0 mt -60.94 -53.58 55.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.59 -51.45 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 83' ' ' PHE . 10.8 t80 -49.47 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -52.83 -33.23 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -64.91 -47.02 79.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.42 -62.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' TYR . 11.4 m-85 -56.69 -63.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 67' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.3 t -33.83 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 51.5 mt-30 -108.64 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -146.6 110.03 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.94 126.74 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.3 tp10 -70.35 120.4 15.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.72 124.81 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.443 HG13 ' CE1' ' A' ' 39' ' ' PHE . 31.0 mm -111.12 123.28 35.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.08 22.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.15 29.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.97 73.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -127.69 -57.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -140.61 140.1 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -132.95 61.73 57.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttm -91.03 116.75 29.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -45.63 169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.18 -41.77 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.62 -63.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 p -82.72 -29.57 29.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.7 t30 69.59 42.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -120.45 133.25 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.36 125.06 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 48' ' ' HIS . 40.5 mt -89.04 124.62 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -91.93 -54.75 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 -157.81 10.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.52 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -126.11 179.64 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -121.35 120.65 35.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.2 p -97.32 115.93 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 155.54 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? 50.95 40.05 24.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.04 38.58 89.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.534 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -160.59 164.16 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 p -107.36 136.58 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.2 m95 -129.44 165.45 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.414 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.6 m80 -88.39 140.34 30.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.71 12.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.91 -34.54 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.4 pt-20 -84.74 -43.05 14.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 4.5 t80 -47.05 93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 9.1 p30 -129.36 141.1 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.6 t -45.08 165.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.64 -16.89 25.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -108.84 -65.76 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.58 -17.3 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 55.75 51.15 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -122.18 156.58 33.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -61.07 125.94 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 1.1 mpp? -106.9 45.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.31 -53.03 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 5.0 m-85 -98.6 43.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 61' ' ' MET . 5.9 pt -160.71 -179.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.92 -178.05 37.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 9.9 p90 -168.04 156.92 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' CB ' ' A' ' 12' ' ' LEU . 85.0 t -133.36 129.02 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 26.5 tt0 -87.53 134.0 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' CE2' ' A' ' 83' ' ' PHE . 19.7 tt0 -159.51 129.88 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? 38.6 44.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.62 52.52 33.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.36 131.48 5.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.29 118.8 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -111.24 125.43 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' LEU . 29.4 p -66.29 140.39 58.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.9 pt-20 -34.61 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 29.2 mt -61.72 -54.4 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.83 -41.7 98.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 11.6 t80 -61.11 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -73.67 -60.48 2.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.53 -60.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 17.0 m-85 -44.82 -34.51 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' LEU . 97.8 t -33.62 125.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.42 162.93 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -128.31 115.76 18.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 125.91 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.45 120.87 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -74.47 110.39 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.419 HG13 ' CE1' ' A' ' 39' ' ' PHE . 49.2 mm -99.33 127.53 34.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 177.44 5.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.614 2.209 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.68 147.13 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.64 -48.14 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -42.46 -48.72 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.299 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.5 mtt-85 -157.83 141.72 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 35' ' ' ILE . 28.6 p -132.65 61.89 59.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.83 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.63 126.55 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.12 170.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.53 -34.55 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CD2' ' OE2' ' A' ' 51' ' ' GLU . 13.5 t60 -83.4 -70.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -73.89 -22.32 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 60.49 42.94 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.27 137.65 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 35' ' ' ILE . 7.3 p -41.05 140.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 48' ' ' HIS . 19.0 mt -101.26 97.99 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.34 37.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.12 -159.91 22.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.9 12.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.396 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.467 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 12.6 p90 -121.34 174.84 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.67 119.75 35.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -152.82 162.53 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 48.65 34.51 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.72 95.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -162.37 164.96 27.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.625 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.3 p -104.41 154.97 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.9 m95 -151.44 165.31 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 35' ' ' ILE . 10.0 m170 -87.2 138.85 32.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -11.78 31.49 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.54 -21.67 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' OE2' ' CD2' ' A' ' 30' ' ' HIS . 18.0 tt0 -97.63 -43.76 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -45.49 97.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -132.95 162.86 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 1.8 t -63.1 177.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.42 -29.57 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -104.37 -58.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 54' ' ' CYS . 16.4 p -78.38 -11.85 59.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 40.58 49.61 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -113.72 149.13 35.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -46.4 117.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.8 mtm -106.77 39.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.01 -43.06 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.55 -45.71 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.6 pt -85.18 177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.3 -164.75 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -166.63 158.2 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -128.01 130.28 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.94 132.67 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -160.61 123.14 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp 50.09 44.23 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.2 43.82 98.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.87 125.71 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.7 mt -92.29 123.88 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.01 125.51 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.4 p -57.62 163.92 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 77' ' ' LEU . 3.6 pm0 -51.73 -33.75 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.7 mt -64.5 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.427 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 64.1 m -46.94 -47.6 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.663 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 9.5 t80 -55.62 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -52.33 -37.81 56.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -55.98 -43.8 77.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 34.8 m-85 -100.05 -62.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.663 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 33.5 m-85 -48.24 -59.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -153.26 167.82 28.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -108.7 152.12 25.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.12 -95.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m 44.05 42.11 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -146.18 142.73 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 176.81 33.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.34 170.22 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -81.61 130.01 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -137.89 171.67 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -76.08 151.13 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 67' ' ' VAL . 7.2 tt -60.35 -38.61 84.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' LEU . 53.6 t -33.56 107.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 8.1 pt20 -96.36 175.52 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -135.88 166.53 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.27 138.87 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.39 110.41 16.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -67.92 109.52 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.46 128.62 37.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.637 0.732 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.37 24.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 149.01 43.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.62 -43.77 3.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -41.77 -62.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -148.82 151.75 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -125.94 66.65 59.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.73 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.756 2.304 . . . . 0.0 112.306 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 121.75 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -47.67 170.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.91 -39.8 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -76.8 -65.72 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -79.06 -26.0 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.23 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -127.27 140.58 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.95 131.05 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.9 122.5 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -88.33 -46.47 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.48 30.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.21 32.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 11.0 p90 -126.73 172.35 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.99 124.23 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.24 115.55 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.94 156.93 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.8 27.24 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.29 34.58 69.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -162.47 168.86 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.624 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 47.9 p -106.6 157.66 17.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.0 m95 -150.99 163.97 37.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -88.66 135.13 32.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 0.94 4.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -106.45 -28.52 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 47.9 mt-10 -97.98 -40.69 8.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 59.1 m-20 -135.89 160.94 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.77 171.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.45 -23.65 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 2.6 t-160 -107.39 -59.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 21.6 p -83.46 -1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' CYS . 16.1 mmmt 34.39 50.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -109.62 164.47 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -61.78 117.04 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.6 mtm -105.7 39.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.61 -56.08 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -78.95 -57.26 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 pt -61.81 172.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.58 -168.21 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 2.2 p90 -167.55 154.37 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 12' ' ' LEU . 97.3 t -128.52 129.92 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.82 141.57 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -157.37 105.75 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 53.28 42.52 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.32 50.21 8.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . . . -157.85 124.32 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.29 121.67 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 72' ' ' ALA . 88.6 m-85 -119.05 122.49 42.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.6 p -62.58 148.9 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' CYS . 4.7 pt-20 -38.0 -41.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.67 -60.42 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 56.7 m -54.49 -49.79 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.684 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -54.94 -64.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.85 -23.64 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.83 -48.37 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 46.3 m-85 -88.12 -56.67 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 19.6 m-85 -57.65 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.21 74.98 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.1 m -74.7 89.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.45 -173.61 33.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 135.51 30.63 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -107.85 119.96 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t -51.28 -43.31 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -102.66 86.61 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 t -125.89 142.95 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.36 89.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -54.18 160.86 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 p -134.19 131.15 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.89 57.06 11.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.82 -25.14 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.735 0.302 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -56.13 173.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.72 21.77 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -116.66 148.03 41.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.5 mt -67.8 -36.61 80.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' ' HA3' ' A' ' 65' ' ' GLY . 69.7 t -34.57 113.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.29 -179.57 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm105 -139.42 117.79 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.97 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.66 108.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -67.84 106.3 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 39' ' ' PHE . 24.3 mm -97.57 124.98 46.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.084 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 173.32 11.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.39 34.08 79.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -126.42 -66.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -137.09 141.87 42.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -116.63 61.58 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 168.33 21.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.34 118.71 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -44.75 166.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.63 -31.57 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.76 -69.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 p -76.89 -26.66 54.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.2 t30 63.84 49.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -124.7 135.51 53.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -46.2 131.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 48' ' ' HIS . 11.2 mt -101.85 129.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -99.98 -53.4 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.54 -156.81 5.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.13 39.6 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 19' ' ' ILE . 46.2 p90 -131.94 174.63 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.28 122.51 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.27 113.04 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.76 166.33 28.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 43' ' ' LEU . 4.1 mm? 46.64 31.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.01 35.82 91.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -160.46 170.78 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -110.13 146.03 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' N ' ' CD1' ' A' ' 47' ' ' TRP . 1.4 m95 -140.77 163.46 32.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.0 m80 -85.99 138.28 35.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.535 0.683 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -6.57 18.96 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.31 -28.14 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -92.99 -41.75 9.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -45.24 106.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -147.5 150.06 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.41 174.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.79 -17.22 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -105.06 -63.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.3 p -79.25 -16.01 57.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 53.14 46.75 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -111.62 161.85 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.2 t -54.7 120.52 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.434 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 32.0 mtm -108.14 41.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.7 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.78 36.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 61' ' ' MET . 8.5 pt -150.39 177.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -107.71 145.13 16.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -127.94 165.65 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.71 136.01 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -88.85 124.55 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -154.56 119.45 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 54.98 48.84 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.23 37.62 81.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.33 131.99 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -96.33 124.58 40.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -120.8 130.81 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.4 p -67.79 152.27 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 8.9 pt-20 -43.58 -39.01 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 10.0 mt -57.68 -54.34 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -61.16 -57.58 11.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.749 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 9.4 t80 -52.33 -57.21 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.07 -20.79 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -87.23 -46.75 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -84.17 -61.89 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 13.4 m-85 -54.6 -69.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.89 82.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.2 t -74.14 89.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.38 69.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.5 3.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.6 t 67.52 51.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -92.69 -42.95 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.448 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -57.64 -49.51 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -151.81 154.35 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.8 -174.34 16.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -104.6 171.66 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -147.25 157.13 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.22 135.13 34.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -127.63 119.49 26.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.438 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.6 mm-40 50.69 50.68 18.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.97 134.24 55.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.9 m -51.91 136.67 28.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD13 ' CG1' ' A' ' 67' ' ' VAL . 1.7 pp -36.88 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' THR . 93.3 t -35.82 120.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.78 176.35 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -148.95 138.83 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.99 132.14 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.17 119.3 19.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.36 105.35 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 mm -92.69 126.05 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.31 35.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.6 154.87 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 81.22 -47.57 3.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 12.8 tppt? -37.06 -56.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -152.26 152.3 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.5 p -125.31 65.55 50.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 mmt -112.48 123.97 51.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 t -49.91 131.95 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.42 19.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -129.66 -45.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.91 -7.13 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.7 t30 57.51 32.93 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -104.71 136.93 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.82 119.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.409 HG12 ' NE2' ' A' ' 48' ' ' HIS . 28.5 mt -87.84 122.12 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.95 -54.34 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.31 -161.14 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.89 24.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 8.0 p90 -125.94 172.85 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.85 132.95 56.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.18 115.3 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.28 165.02 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 42.83 36.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 40.94 99.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.03 174.88 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 49.3 p -109.95 161.58 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -159.73 156.36 27.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.409 ' NE2' HG12 ' A' ' 35' ' ' ILE . 3.9 m170 -77.79 135.63 63.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.38 -18.03 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -103.16 -42.29 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.25 103.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -141.39 162.89 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.1 t -57.85 171.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.72 -25.29 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -103.25 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.24 -7.03 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 45.54 44.19 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.88 150.79 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -54.48 117.46 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 mtm -103.32 45.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.31 -52.93 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -87.28 -41.87 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 pt -72.57 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.71 -169.27 42.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -168.18 154.8 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 12' ' ' LEU . 15.3 t -129.91 129.94 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -85.96 120.8 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 70' ' ' LYS . 14.6 tm-20 -148.94 135.89 19.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 24.9 mmtp 39.64 45.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 42.06 99.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.67 137.25 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -100.76 116.22 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -114.21 129.82 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.98 150.78 48.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.63 -30.5 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.83 -43.39 83.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.29 -53.27 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.642 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 10.6 t80 -50.51 -57.88 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.23 -27.58 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -78.25 -48.53 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -84.53 -61.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 15.1 m-85 -59.3 -64.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.52 54.36 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 81.1 p -84.04 44.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.57 -156.57 22.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.5 66.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -78.3 98.44 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t 55.8 41.99 29.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.505 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -120.59 150.71 40.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -121.66 161.95 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.1 -124.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 m 48.5 42.38 18.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -81.76 -57.66 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.88 125.42 5.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -109.64 88.26 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.11 139.2 31.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.85 22.79 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -129.31 142.0 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' H ' ' CD2' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -50.95 -35.94 36.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -38.05 126.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -103.82 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -153.37 128.67 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.41 136.3 40.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.29 117.54 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.18 129.1 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG22 ' CE2' ' A' ' 39' ' ' PHE . 21.8 mm -119.74 123.77 28.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.99 32.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.67 49.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.62 -41.96 3.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -42.53 -43.24 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -172.03 156.23 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.9 p -127.71 70.79 77.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.88 122.04 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -51.96 166.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 47' ' ' TRP . . . -103.29 -30.16 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -87.45 -67.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -75.06 -18.01 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.5 t30 52.13 50.66 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -130.82 143.02 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.2 133.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -99.25 120.89 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -89.66 -43.73 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.57 -159.63 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.18 24.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.4 p90 -122.97 177.72 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 mt -121.94 148.39 44.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.58 114.52 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.67 -74.72 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.8 mm? -81.97 73.92 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.16 37.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' LEU . 17.3 ttmt -154.44 170.64 20.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -111.21 132.64 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 29' ' ' ALA . 3.8 m95 -130.77 145.84 52.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.32 139.88 89.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.705 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.13 15.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.67 -29.96 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -89.55 -44.62 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.21 99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -138.96 162.23 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.69 171.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.84 -11.75 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -120.17 -60.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.1 p -79.03 -7.97 58.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 38.6 52.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 171.03 7.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 t -70.02 114.78 8.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.2 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.95 -39.98 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -53.1 177.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.36 -171.69 36.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 4.0 p90 -169.04 163.18 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -134.39 136.33 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -90.0 121.59 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -146.36 123.65 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 47.76 49.64 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.94 41.65 97.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.58 133.91 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 66' ' ' PHE . 96.4 mt -100.13 120.03 39.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -117.92 125.05 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.61 155.83 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -46.62 -36.12 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.4 mt -60.86 -57.05 14.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.32 -49.04 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 24.8 t80 -56.19 -65.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -49.38 -32.85 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -64.09 -46.96 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -93.03 -60.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.2 m-85 -54.5 -63.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 85.63 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -76.74 149.69 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.98 -156.26 25.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.38 36.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.2 p -50.82 141.89 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.1 p -143.48 127.03 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.458 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -117.37 140.71 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -124.09 145.32 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.97 145.75 5.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -118.7 153.11 34.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -112.26 156.02 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.51 97.1 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -132.59 110.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.62 127.08 30.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -150.68 133.17 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -64.4 143.8 57.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.4 mp -42.88 -34.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 92.9 t -34.73 119.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -114.0 178.34 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -137.68 121.24 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.08 135.33 41.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -76.38 122.91 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -79.09 111.44 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -96.52 122.18 58.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 170.34 16.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.271 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 153.62 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 42.36 43.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -130.6 -56.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 25' ' ' THR . 13.2 ttm180 -154.18 146.64 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 36.2 p -111.19 65.78 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.71 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.4 mmt -92.22 120.94 33.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.97 132.19 41.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.33 16.92 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -123.33 -48.78 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -106.82 -15.19 14.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.01 39.34 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -120.72 136.81 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -52.83 127.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.415 HG12 ' NE2' ' A' ' 48' ' ' HIS . 49.4 mt -94.76 121.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -89.28 -53.44 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.16 -159.61 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 133.34 25.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 12.4 p90 -124.13 172.16 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 16.4 mt -114.97 145.42 42.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.76 114.78 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.5 -66.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? -80.69 40.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.23 -37.78 2.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -88.37 172.18 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p -102.28 144.47 30.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -138.11 143.06 40.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.415 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.2 m80 -63.46 137.34 97.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 -9.15 25.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -102.2 -39.79 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASN . 75.9 mt-10 -79.71 -46.62 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -42.55 96.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' GLU . 44.5 m-20 -133.01 175.72 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.02 -178.57 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.87 -30.67 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -101.45 -61.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.6 p -77.46 -13.39 59.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt 44.02 50.37 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -112.61 154.74 25.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -51.39 120.46 5.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -106.85 42.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.45 -58.64 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.63 -60.02 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.8 pt -50.88 170.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.49 -166.32 40.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -170.71 158.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -139.43 124.28 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 17.0 tt0 -86.21 121.52 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' LYS . 2.2 tp10 -145.94 139.46 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 34.5 42.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.93 52.34 29.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . . . -162.55 133.87 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 111.12 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -101.07 116.49 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 72' ' ' ALA . 72.0 m-85 -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.71 152.1 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -41.56 -38.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.05 -64.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.8 m -50.64 -53.27 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 83' ' ' PHE . 3.3 t80 -54.79 -60.54 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -48.41 -27.2 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -78.25 -61.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -69.56 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 33.2 m-85 -54.27 -69.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.82 77.94 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 p -85.81 129.29 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.809 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.77 -64.32 0.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -26.14 28.05 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.6 m -80.53 161.81 24.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.7 t -71.5 132.89 45.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.485 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t 45.99 42.25 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -105.38 148.09 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.13 108.47 2.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -154.3 164.28 38.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -141.29 125.85 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.11 82.45 0.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.28 115.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -132.11 137.73 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -118.26 19.57 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -139.95 137.62 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.1 mt -64.96 -37.14 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 60.6 t -34.03 118.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -102.77 -176.43 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -149.48 121.49 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.44 123.81 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.19 105.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.37 105.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.85 122.98 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.9 15.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 153.51 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.47 44.07 51.82 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -133.61 -55.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -150.95 145.99 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -117.3 65.97 4.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.51 0.671 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 mmt -118.86 125.09 48.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.9 t -53.76 141.29 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.553 ' HB1' ' CZ3' ' A' ' 47' ' ' TRP . . . -89.03 20.61 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -133.03 -53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 p -98.27 -12.46 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.05 30.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -110.29 137.87 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -52.78 139.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 48' ' ' HIS . 38.2 mt -103.13 129.04 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -97.25 -52.82 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 -158.76 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 135.9 31.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -130.49 176.41 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.79 127.3 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.94 118.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.8 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 52.64 25.83 3.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.8 34.59 62.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -158.08 171.5 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -113.72 145.04 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.553 ' CZ3' ' HB1' ' A' ' 29' ' ' ALA . 4.2 m95 -135.23 165.51 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 35' ' ' ILE . 4.1 m170 -90.02 133.96 32.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -107.94 -28.44 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 46.0 mt-10 -101.05 -38.73 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.98 95.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 4.3 p30 -136.69 166.28 23.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.21 174.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.48 -28.89 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -100.05 -58.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.6 p -80.72 -10.18 59.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt 43.0 48.48 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.56 151.79 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -44.68 127.96 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.4 mtm -117.0 39.61 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.4 -58.35 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -73.12 -45.04 59.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.1 pt -77.27 175.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -167.5 39.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.442 ' CD1' HD22 ' A' ' 73' ' ' LEU . 6.2 p90 -170.16 150.18 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.2 t -118.07 128.71 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.76 109.19 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -141.16 122.05 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 53.63 45.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.26 46.33 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.62 134.01 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 66' ' ' PHE . 70.3 mt -100.55 114.27 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -111.93 122.38 47.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.8 p -61.53 152.4 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -44.04 -38.23 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.78 -56.13 26.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.4 m -58.26 -58.59 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 7.8 t80 -53.09 -59.13 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -51.29 -18.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -91.14 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.04 -61.07 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 m-85 -57.93 -73.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.78 78.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -76.72 122.49 24.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.6 -111.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.89 2.51 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.42 121.55 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.2 m -120.54 93.0 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.516 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -115.24 177.58 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -135.74 148.79 48.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.36 -153.59 29.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -89.44 104.09 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -68.4 102.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.03 170.01 44.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -146.63 146.52 30.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -61.02 118.36 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -96.06 25.5 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -139.18 141.98 37.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD23 ' CZ ' ' A' ' 79' ' ' TYR . 1.7 pt? -57.97 -19.59 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.51 135.54 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.39 178.41 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -145.54 123.96 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 152.26 39.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.23 112.94 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -62.87 123.11 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -114.62 124.08 31.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.48 34.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 161.3 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 -48.26 3.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -52.46 -40.4 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.303 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -161.69 139.12 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 35' ' ' ILE . 28.3 p -132.49 61.34 56.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 171.96 13.51 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.01 125.35 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -48.92 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.97 -46.02 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -72.31 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -77.64 -18.63 56.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.8 t30 56.93 44.84 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -122.36 138.32 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.24 131.86 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' THR . 14.2 mt -93.43 115.85 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -85.71 -46.98 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.21 -159.16 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 135.89 31.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 12.8 p90 -125.74 176.69 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 52' ' ' PHE . 8.2 mt -117.38 138.27 51.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.93 112.41 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.75 -75.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.5 mm? -79.88 72.57 6.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.73 42.25 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -162.89 171.1 17.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -109.99 134.89 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -130.69 141.2 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.476 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 3.9 m80 -67.43 137.06 93.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.23 -44.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER -84.75 -42.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD2' HD12 ' A' ' 40' ' ' LEU . 10.5 t80 -41.58 92.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.3 p30 -137.3 167.01 22.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.48 178.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.06 -26.07 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -101.37 -61.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -77.58 -14.1 59.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 50.11 45.46 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -110.23 149.04 30.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 125.5 11.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -111.42 41.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.3 -45.87 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -92.28 -63.42 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.9 pt -48.37 168.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.96 -164.97 38.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 3.6 p90 -170.76 162.83 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 66' ' ' PHE . 39.8 t -142.33 127.71 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.17 123.21 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' LYS . 3.8 tp10 -152.57 139.46 19.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 3.1 mmmp? 37.41 41.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.48 55.03 22.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.38 141.73 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -104.92 121.56 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.64 128.34 55.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.9 p -67.28 143.68 56.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 15.1 pt-20 -35.64 -41.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 72.6 mt -56.79 -55.54 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.11 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -55.11 -65.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -49.88 -34.65 20.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -61.83 -47.99 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -92.82 -60.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 26.4 m-85 -52.27 -59.89 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.82 80.88 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.9 m -80.51 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -50.46 -96.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -115.49 150.34 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -125.46 128.42 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.493 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -142.38 114.11 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -63.18 -50.32 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.3 -125.55 2.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -73.22 122.32 21.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -41.28 -51.53 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.85 43.7 3.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.32 93.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -122.18 110.99 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.95 34.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -131.76 136.18 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.8 mp -39.6 -37.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.6 t -33.3 123.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mt-30 -114.32 177.32 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -146.11 121.14 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.32 122.62 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.4 111.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.6 114.68 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.2 mm -106.63 129.43 24.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.38 34.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.29 174.62 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.6 47.57 23.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -56.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . 31.5 mtt180 -127.45 -35.52 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 59.1 p 44.88 47.93 4.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 25' ' ' THR . 53.6 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -89.15 131.19 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -55.05 165.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.22 -31.55 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -82.38 -68.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 p -73.93 -30.99 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 73.2 51.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -137.82 133.62 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 35' ' ' ILE . 7.2 p -43.16 139.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' N ' HG22 ' A' ' 34' ' ' VAL . 4.5 mt -107.13 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -59.26 -58.73 7.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.84 -161.83 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.95 39.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CB ' HD12 ' A' ' 35' ' ' ILE . 20.2 p90 -125.74 174.51 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.65 132.5 55.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.51 114.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.03 146.17 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.05 25.01 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.0 53.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -108.44 172.38 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.9 p -108.55 160.84 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -153.29 159.51 42.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.409 ' NE2' HG12 ' A' ' 35' ' ' ILE . 10.2 m80 -82.69 138.63 43.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.721 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -7.13 20.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.46 -21.81 11.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -98.5 -30.07 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.89 102.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -133.82 173.25 11.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.61 -179.95 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.35 -24.64 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -104.67 -61.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.51 -16.82 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm 49.27 45.94 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.45 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 t -73.86 116.06 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 mtm -106.74 43.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.03 -47.39 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.8 -51.53 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD13 ' CB ' ' A' ' 75' ' ' CYS . 14.1 pt -61.08 174.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.26 -172.77 41.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 25.4 p90 -165.11 151.3 10.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.98 126.68 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -86.31 126.24 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -147.03 117.75 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 47.53 49.18 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.91 50.12 59.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.22 129.09 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.78 136.48 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.04 123.22 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.6 p -61.66 144.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.9 pt-20 -35.75 -40.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 73.4 mt -56.72 -61.98 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.5 m -53.79 -46.26 71.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 5.2 t80 -60.23 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -51.03 -19.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -78.87 -54.24 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 84' ' ' ALA . 26.1 m-85 -96.51 -62.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 10.9 m-85 -43.24 -23.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 82' ' ' PHE . . . -117.12 84.36 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -100.15 135.53 41.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.25 -75.23 1.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.34 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -43.58 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.6 t -60.31 122.68 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.452 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -46.93 117.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -86.38 -2.39 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.66 -111.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m 42.57 41.27 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -137.4 169.99 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.97 41.72 1.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.76 169.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.02 84.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.76 140.61 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' VAL . 8.4 m -130.02 145.25 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD11 ' CG1' ' A' ' 67' ' ' VAL . 1.6 pp -35.58 -31.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' THR . 73.4 t -35.12 119.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -108.7 173.3 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -139.69 138.25 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 130.42 35.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.17 110.04 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.58 122.18 14.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -114.96 121.79 34.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.12 17.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 151.98 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.71 -50.62 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -40.13 -50.09 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -162.32 149.11 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.9 p -124.44 67.52 47.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.73 163.92 36.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.06 123.15 33.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.05 160.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.55 -19.34 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -96.17 -62.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -81.03 -16.92 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.87 38.94 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -122.25 132.46 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -49.02 135.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 mt -94.07 105.79 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -87.75 30.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.05 -156.99 8.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.09 15.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 40.3 p90 -127.6 173.26 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.4 122.82 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.48 113.44 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.93 146.08 30.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 62.79 26.31 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.69 5.12 86.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -130.53 175.0 9.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.652 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 39.3 p -112.6 163.53 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.2 m95 -158.98 149.03 19.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -70.94 137.16 84.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -7.63 21.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.15 -20.49 14.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 96.5 mt-10 -102.4 -39.8 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -46.57 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLU . 62.5 m-20 -134.14 150.95 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -48.35 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.96 -14.64 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -116.37 -59.04 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.6 p -83.08 -4.45 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 39.87 36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.42 164.73 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -60.71 121.79 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.7 mtm -112.48 36.85 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.51 -51.75 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -84.05 -46.51 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 pt -70.27 170.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -165.16 40.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -170.42 159.95 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 12' ' ' LEU . 21.4 t -132.71 129.79 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -88.2 123.72 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -148.03 127.24 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.6 mttt 41.6 51.64 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.28 48.32 86.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . . . -155.53 137.1 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -103.88 121.58 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 72' ' ' ALA . 57.3 m-85 -122.48 124.29 43.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.7 p -61.74 153.09 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -41.99 -39.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -58.71 -63.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -49.5 -52.84 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.6 t80 -58.32 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -52.53 -19.27 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -80.48 -48.7 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -90.51 -55.9 3.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 79' ' ' TYR . 17.4 m-85 -55.8 -59.69 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.04 87.69 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -94.96 -41.52 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.74 136.15 2.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 90.7 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.318 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.1 m -51.24 143.54 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -41.56 -55.24 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.543 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -149.68 144.09 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -95.32 137.17 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.55 -166.53 13.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -170.23 170.38 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -156.22 146.58 21.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.32 -58.88 5.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.34 168.14 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -131.94 173.82 10.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.72 169.42 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m -75.06 149.16 39.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD22 ' CG1' ' A' ' 67' ' ' VAL . 8.4 mp -48.14 -29.01 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -37.41 122.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -119.51 172.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -135.76 122.36 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.75 135.91 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.47 114.36 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -67.1 105.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 mm -96.32 123.71 53.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.6 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.27 150.28 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 76.09 -55.11 3.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 8.0 tptt -37.29 -37.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -159.37 141.48 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -134.96 61.33 46.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.554 0.692 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.53 121.63 45.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -47.54 165.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.61 -36.39 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -78.31 -67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -77.39 -29.51 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 67.45 49.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -127.4 139.92 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.4 p -48.59 136.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 mt -104.71 122.2 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -90.66 -54.38 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.22 -157.45 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 145.76 58.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' OG ' ' A' ' 46' ' ' SER . 41.2 p90 -140.02 -177.08 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.52 120.49 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.77 111.1 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.41 149.06 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 61.34 25.03 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.4 -24.53 13.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -109.06 175.51 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.497 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 m -117.57 165.22 13.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 1.4 m95 -148.46 166.05 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -84.48 134.38 42.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.2 4.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -105.92 -30.98 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.36 -40.46 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -41.51 105.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.78 157.48 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.95 178.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.24 -25.86 13.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -106.77 -61.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LYS . 22.4 p -79.33 -2.75 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.9 mmtm 36.86 47.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.2 161.62 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 t -59.86 121.38 11.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.8 mtm -107.23 39.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.53 -51.74 5.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -85.63 -64.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.3 pt -50.27 170.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.11 -166.95 43.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 6.4 p90 -168.84 158.54 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' HD22 ' A' ' 12' ' ' LEU . 83.7 t -135.08 127.45 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.14 130.29 34.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -152.93 124.21 7.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 48.14 43.48 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.04 51.88 46.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.96 134.71 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.81 137.12 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -139.17 122.27 16.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.2 p -58.55 156.18 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -44.45 -37.61 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.71 -60.96 2.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 65.3 m -55.16 -48.28 73.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.74 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 17.9 t80 -55.46 -63.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.35 -35.14 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -63.58 -48.35 77.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.93 -61.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.74 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 19.7 m-85 -54.2 -66.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 49.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -99.92 159.03 15.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.6 146.87 49.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 145.87 58.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m 54.4 44.39 28.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -81.28 113.94 19.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -149.49 170.93 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -118.88 140.6 49.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.04 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -162.83 134.34 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -152.6 150.57 29.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.67 -114.11 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -152.59 117.01 4.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.1 87.14 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.04 22.75 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -155.05 150.06 26.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 67' ' ' VAL . 12.5 tp -55.37 -32.79 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 t -36.79 138.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -123.44 168.79 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -137.56 132.22 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.62 119.25 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -58.05 120.75 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 3.4 m-70 -71.2 104.76 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.424 HD12 ' CD ' ' A' ' 17' ' ' GLU . 48.5 mm -94.73 124.83 53.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.67 9.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.67 147.41 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 85.12 -54.55 4.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' GLY . 22.1 tptp -36.63 -39.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.7 mtt180 -167.95 144.16 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -134.96 62.54 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.494 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 176.51 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ttm -91.53 127.84 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' ' 30' ' ' HIS . 4.5 t -46.09 172.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 -40.28 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 2.7 p-80 -85.34 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 15.5 p -69.96 -22.02 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 60.28 42.26 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -121.04 140.29 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 116.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 48' ' ' HIS . 9.5 mt -74.61 111.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -90.07 51.69 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.55 -153.74 19.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 132.65 23.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -133.04 178.11 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.91 118.86 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.52 164.19 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 1.9 mm? 48.9 25.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.54 45.04 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -174.65 168.5 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.8 p -103.77 153.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' SER . 4.7 m95 -147.51 151.91 37.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 3.5 m80 -76.88 135.83 67.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.58 3.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -106.76 -38.9 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 30' ' ' HIS . 27.3 mt-10 -86.97 -43.04 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.93 99.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.18 166.43 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.32 174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.06 -25.09 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -102.96 -60.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.88 -10.34 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 42.16 51.23 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -112.51 153.23 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -50.36 116.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.0 mtm -104.31 43.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 -46.56 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -87.94 -45.0 10.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.4 pt -74.7 170.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.34 -174.51 50.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -160.87 158.69 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 12' ' ' LEU . 61.7 t -134.27 128.11 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 25.4 tt0 -88.21 121.24 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -147.3 117.97 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 51.78 45.27 28.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.36 49.18 67.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.85 122.5 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.73 118.42 30.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' VAL . 79.2 m-85 -117.6 130.39 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.4 157.6 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.0 -35.46 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.77 -50.81 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 t80 -52.75 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -50.19 -35.74 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -63.62 -50.83 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -86.45 -62.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.576 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 24.8 m-85 -55.2 -65.4 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.49 49.85 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.2 p -88.45 161.91 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.61 146.42 47.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -132.8 166.56 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.0 p -85.56 176.73 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.429 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -144.27 157.18 44.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -149.23 158.76 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 172.65 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -125.39 110.3 13.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 m -97.77 170.15 9.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.77 172.07 55.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.79 -25.79 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.74 167.28 16.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -111.66 22.83 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 12' ' ' LEU . 18.8 m -136.54 146.58 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' N ' HG22 ' A' ' 11' ' ' THR . 5.2 mp -37.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 76.3 t -34.22 117.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -111.57 175.81 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -144.41 123.15 12.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.55 126.79 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.17 107.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.01 107.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -97.02 122.62 55.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.575 0.702 . . . . 0.0 111.186 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 145.7 54.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.79 -40.75 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -42.66 -68.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.3 158.47 44.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -127.21 58.49 30.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 160.18 50.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.98 130.1 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -49.15 166.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -100.37 -32.93 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -84.42 -71.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -74.43 -22.29 59.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.0 t30 60.66 51.23 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -123.19 133.6 54.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.02 133.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.2 mt -103.6 129.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -96.27 -53.26 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.56 -156.16 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.26 64.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.7 p90 -144.13 177.08 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 119.79 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -100.71 111.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.58 150.05 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 61.62 38.32 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.9 40.08 98.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.8 pttm -172.08 171.04 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.534 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m -120.88 147.14 45.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.522 ' CZ2' ' HD2' ' A' ' 45' ' ' LYS . 1.2 m95 -131.52 166.21 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 2.6 m80 -81.74 129.18 66.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 5.09 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.35 -31.43 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -102.02 -38.19 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.95 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -138.38 172.25 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 5.3 t -67.25 171.67 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.89 -14.05 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -114.05 -45.68 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -104.26 -3.14 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 3.2 mptt 44.13 41.98 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.94 148.52 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -46.35 111.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.455 ' HE3' ' CB ' ' A' ' 73' ' ' LEU . 35.0 mtm -100.54 39.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.39 -63.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -77.7 -54.45 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 pt -56.63 169.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.55 -173.51 49.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -165.92 151.03 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.56 127.62 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -86.2 125.57 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -158.89 126.24 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 50.5 46.83 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.21 54.06 40.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.1 134.96 3.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CB ' ' HE3' ' A' ' 61' ' ' MET . 64.4 mt -102.3 122.38 44.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -113.33 128.59 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' GLU . 29.8 p -66.46 140.45 58.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' CYS . 16.9 pt-20 -34.12 -38.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' CYS . 27.1 mt -58.97 -57.71 11.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -55.29 -59.44 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 2.2 t80 -52.75 -51.61 59.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.4 -24.13 63.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -86.85 -31.24 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -98.13 -61.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 6.7 m-85 -59.11 -74.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.95 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 t -68.31 149.24 49.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.26 119.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.308 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.0 p -77.7 -44.98 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.0 m -85.73 40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.496 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -95.06 -49.11 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 50.15 42.6 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.36 -158.98 11.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -143.5 137.1 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.8 p -156.82 130.05 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.44 140.88 5.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -94.93 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -104.27 151.07 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -149.16 166.53 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.39 142.56 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 67' ' ' VAL . 2.0 pt? -40.21 -29.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.1 t -40.49 119.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -87.5 -178.94 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -153.66 145.04 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 125.87 43.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.02 121.34 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -70.4 116.29 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.549 HG22 ' CE1' ' A' ' 39' ' ' PHE . 30.5 mm -103.14 130.91 22.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.72 29.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.12 153.27 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.77 -48.18 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 23' ' ' LYS . 9.1 tmtt? -47.78 -41.94 24.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -150.13 137.15 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -135.06 58.82 29.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.77 2.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -49.64 171.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.69 -44.96 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -72.69 -63.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -81.45 -25.45 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.2 t30 61.54 46.09 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -124.53 141.38 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.8 127.68 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 48' ' ' HIS . 24.6 mt -95.63 103.23 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm105 -75.82 -37.38 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.41 -168.96 43.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.89 11.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CE1' HG22 ' A' ' 19' ' ' ILE . 52.8 p90 -109.09 178.72 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.68 121.5 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 19' ' ' ILE . 1.4 p -105.63 113.22 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.77 -69.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.8 mm? -87.45 74.48 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 36.66 28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' LEU . 47.1 mtmt -150.48 168.98 22.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.54 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 95.9 p -110.79 128.86 55.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.467 ' N ' ' CD1' ' A' ' 47' ' ' TRP . 2.8 m95 -124.63 141.56 52.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.4 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.2 m80 -63.61 138.94 97.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.02 13.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.12 -39.44 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ASN . 82.9 mt-10 -83.44 -44.27 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -44.17 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLU . 70.5 m-20 -135.3 163.9 28.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.35 176.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.07 -27.52 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -101.84 -60.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.0 p -80.98 -6.9 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp 38.5 48.66 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -111.62 158.17 19.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -53.95 123.88 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.8 mtm -112.61 42.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.81 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -68.6 -62.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 65' ' ' GLY . 2.2 pp -61.59 168.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 64' ' ' ILE . . . -100.33 172.75 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' HD21 ' A' ' 73' ' ' LEU . 34.5 p90 -141.53 177.78 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 12' ' ' LEU . 46.3 t -138.02 128.0 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -86.72 122.01 30.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.82 112.77 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 41.12 39.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.28 46.24 5.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.575 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . . . -153.32 122.63 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD21 ' CE1' ' A' ' 66' ' ' PHE . 55.2 mt -98.03 122.01 40.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 72' ' ' ALA . 77.8 m-85 -126.31 127.41 45.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.2 p -61.21 147.46 44.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.94 -25.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.53 -51.68 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.41 -51.34 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 25.4 t80 -49.53 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.44 -30.71 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -71.29 -45.16 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -92.8 -62.27 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 9.7 m-85 -55.6 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.98 54.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -115.2 156.8 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.03 -95.27 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 88.45 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.6 t -148.87 137.36 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.4 m -90.34 83.44 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.505 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -89.07 156.8 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -112.89 150.35 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.44 120.66 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -82.4 95.43 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -147.9 177.74 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.31 -51.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -123.91 43.88 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -112.61 86.35 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -159.66 135.59 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -121.32 142.47 49.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' VAL . 23.3 tp -46.39 -35.85 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' LEU . 48.0 t -34.71 124.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.574 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 9.8 pt20 -113.99 153.04 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 162.51 22.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.21 144.55 31.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.56 112.57 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -59.16 123.95 18.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 39' ' ' PHE . 47.0 mm -117.15 123.96 29.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 174.36 9.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 155.48 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 77.07 -50.04 3.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' GLY . 32.6 tttt -34.03 -48.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' THR . 32.9 ttm-85 -164.91 147.17 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 72.9 p -122.49 70.52 35.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.82 -177.68 2.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.06 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.36 171.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.3 -46.16 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -74.74 -63.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -79.56 -19.38 49.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 51.36 48.97 21.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -123.46 137.53 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.86 122.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 48' ' ' HIS . 12.4 mt -92.09 117.97 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -85.29 -55.23 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.04 6.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 137.45 35.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 32.7 p90 -127.67 175.9 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -118.63 156.64 28.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.13 113.69 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 -62.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.0 mm? -87.68 75.11 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 30.86 38.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' LEU . 24.3 mtmm -158.66 174.83 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -113.27 128.5 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -126.69 136.42 52.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.7 m80 -62.61 141.11 96.95 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -12.15 32.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.49 -35.01 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASN . 68.7 mt-10 -84.23 -46.16 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 90.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . 47.3 m-80 -131.36 145.18 51.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.507 ' N ' ' SD ' ' A' ' 61' ' ' MET . 12.3 t -46.88 168.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.46 -14.87 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -108.25 -51.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.75 -6.61 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER 45.49 53.51 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -117.47 142.39 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -49.99 123.95 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -108.39 39.06 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.07 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -92.56 -44.54 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' CG1' ' HA ' ' A' ' 61' ' ' MET . 17.3 pt -73.62 173.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.32 -170.15 40.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.491 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 6.4 p90 -166.63 169.17 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 79' ' ' TYR . 95.3 t -140.53 123.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -86.35 127.11 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -155.46 123.73 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttm 52.9 35.8 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.4 43.76 44.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.03 128.48 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -97.02 122.94 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -116.34 127.18 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 76' ' ' GLU . 31.8 p -64.24 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 75' ' ' CYS . 15.5 pt-20 -32.83 -41.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.96 -58.89 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.96 -46.3 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 4.3 t80 -59.27 -67.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -50.83 -28.53 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -66.68 -53.64 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -87.72 -60.3 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.579 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 31.3 m-85 -51.76 -59.64 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.26 44.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t -83.27 117.79 23.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.78 75.37 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 151.81 68.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.303 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.2 p -90.46 88.0 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.8 m -104.04 122.35 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -144.44 127.54 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -117.29 168.89 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.83 99.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -115.96 97.79 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -168.67 141.59 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.27 -80.88 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -131.22 86.39 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.08 95.51 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.66 20.89 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -142.99 152.0 41.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -81.44 -29.23 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' LEU . 54.0 t -30.66 117.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 68.3 mt-30 -97.41 175.06 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -144.17 121.11 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.77 124.25 23.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.11 123.89 21.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.29 119.8 15.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.3 mm -113.22 124.41 31.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.55 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 161.05 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.68 -46.87 2.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -171.67 146.72 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.1 p -118.92 72.37 11.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.557 0.694 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.77 176.48 6.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.447 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.45 117.63 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.57 168.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB2' ' CZ3' ' A' ' 47' ' ' TRP . . . -106.02 -42.49 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -72.77 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.2 p -81.42 -27.15 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 62.83 46.92 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -125.2 135.04 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 5.9 p -43.39 140.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 48' ' ' HIS . 5.6 mt -108.8 113.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -80.56 -47.74 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.27 -158.7 21.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.28 30.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 26' ' ' PRO . 47.3 p90 -122.21 171.7 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 49' ' ' PRO . 9.0 mt -115.75 159.06 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -147.04 116.21 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -132.59 -66.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -87.36 74.05 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.73 33.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LEU . 26.0 mttm -152.73 171.47 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.3 p -109.16 138.94 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 29' ' ' ALA . 3.2 m95 -139.54 132.01 28.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.4 m80 -53.92 142.24 45.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.78 -19.72 35.67 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -94.33 -37.58 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.8 tt0 -77.76 -47.19 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -47.48 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' GLU . 64.0 m-20 -127.95 178.06 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.35 175.3 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.91 -29.65 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -100.65 -61.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.11 -7.85 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 39.24 49.7 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -107.51 160.84 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 t -56.0 114.86 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 39.9 mtm -102.84 41.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.38 -54.54 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -80.85 -59.04 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.2 pt -58.86 171.06 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.52 -165.21 40.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 73' ' ' LEU . 18.4 p90 -164.86 169.41 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' A' ' 12' ' ' LEU . 58.5 t -140.64 128.8 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -85.55 127.81 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -151.95 121.92 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt 42.8 40.6 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.64 48.25 18.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.75 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 66' ' ' PHE . 92.3 mt -102.8 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -108.25 128.1 54.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' GLU . 30.0 p -61.36 140.89 57.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' CYS . 9.0 pt-20 -35.83 -37.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.98 -56.31 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.61 -58.38 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 12.9 t80 -48.02 -62.63 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.41 -38.76 59.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -58.79 -38.61 78.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -100.72 -63.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.4 m-85 -50.36 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.65 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ALA . 48.2 t -37.63 -42.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.53 131.76 51.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -29.2 24.11 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -145.19 161.61 39.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 m -131.74 148.86 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m 46.28 42.12 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -89.8 176.46 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.9 63.82 0.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -123.81 84.25 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -114.32 -47.6 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.1 105.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -73.89 166.09 23.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -46.0 167.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.29 25.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 m -136.05 151.37 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 43.5 tp -72.24 -39.34 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.4 t -33.34 122.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -102.77 -179.28 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -147.1 132.61 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.84 144.11 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -87.05 112.32 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.07 116.76 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.49 121.63 42.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.84 15.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.62 164.99 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 23' ' ' LYS . . . 69.8 20.74 76.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -114.01 -63.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.321 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -143.61 142.82 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 p -115.76 68.49 3.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -112.58 118.23 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.1 170.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.25 -48.4 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -74.07 -60.68 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.92 -24.42 41.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 56.19 47.4 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -122.76 136.63 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.6 p -45.39 134.38 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 mt -102.15 126.14 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -98.53 -49.35 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -157.34 12.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.63 28.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.48 167.57 16.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 52' ' ' PHE . 10.2 mt -111.48 152.92 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.3 113.25 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.95 -63.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -89.11 74.16 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.1 34.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.448 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LEU . 32.1 mtmt -153.22 171.26 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -110.17 132.42 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -129.04 136.63 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.475 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 4.8 m80 -64.6 137.62 97.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 8.5 pt-20 -101.27 -48.3 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 pt-20 -81.85 -42.48 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' A' ' 40' ' ' LEU . 12.3 t80 -42.84 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.8 p30 -138.9 174.11 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 61' ' ' MET . 2.0 t -67.57 179.24 1.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 -31.06 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -100.23 -59.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HB2' ' ND2' ' A' ' 59' ' ' ASN . 19.5 p -78.94 -10.25 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 40.33 46.52 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 57' ' ' CYS . 65.7 m-20 -106.15 156.09 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -49.43 114.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 54' ' ' CYS . 29.3 mtm -104.3 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.57 -53.52 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.89 171.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.87 -166.23 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.3 160.5 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' TYR . 85.9 t -138.52 124.08 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.77 115.72 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -138.1 124.87 21.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.11 46.57 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.74 57.11 10.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 74' ' ' TYR . . . -167.42 127.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -94.59 123.13 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.9 m-85 -120.81 129.18 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' GLU . 29.6 p -66.19 148.95 51.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' CYS . 11.4 pt-20 -38.24 -39.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.39 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.2 m -55.41 -54.64 41.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.789 ' CD2' ' CD2' ' A' ' 83' ' ' PHE . 11.0 t80 -49.27 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -46.57 -48.5 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -46.12 -50.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -91.01 -63.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.789 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 22.5 m-85 -47.89 -59.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.7 50.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 126.77 24.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -138.18 -74.44 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.28 4.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 t -108.97 168.81 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -139.8 171.48 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.544 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -128.97 129.98 46.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -153.73 143.54 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.26 148.55 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -120.22 168.91 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 41.7 t -112.66 97.4 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.78 85.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.71 126.7 27.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -132.23 129.07 39.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -120.07 173.11 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -140.17 -175.59 4.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.5 mm? -54.5 -39.4 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' LEU . 69.4 t -33.72 114.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 2.2 pt20 -127.88 161.44 29.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -125.17 145.03 50.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.95 134.87 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 9.8 tp10 -68.14 119.0 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -74.01 105.05 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.459 HG22 ' CE1' ' A' ' 39' ' ' PHE . 17.0 mm -94.34 133.52 27.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 166.15 28.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.84 148.74 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.47 33.23 23.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.1 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 32.9 mtt180 -120.4 -46.56 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 62.2 p 50.49 50.58 9.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 25' ' ' THR . 54.2 Cg_endo -69.76 168.31 21.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -84.39 129.36 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.64 168.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.23 -33.81 9.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -82.78 -65.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -76.49 -26.15 54.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.44 53.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -136.13 137.07 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.6 136.23 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.514 HG23 ' CD2' ' A' ' 48' ' ' HIS . 5.8 mt -103.07 94.28 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -54.24 -63.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.85 -161.57 1.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.8 26.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CE1' HG22 ' A' ' 19' ' ' ILE . 50.6 p90 -111.08 175.49 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mt -120.9 125.03 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.3 p -102.37 114.81 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.47 149.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 55.8 40.82 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.73 41.81 90.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -168.23 157.89 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.7 p -98.99 155.97 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.4 m95 -149.29 161.69 41.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CD2' HG23 ' A' ' 35' ' ' ILE . 6.5 m80 -81.33 137.53 48.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.11 22.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.18 -27.28 9.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -92.64 -38.65 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.23 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.69 177.41 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.0 t -77.47 174.69 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.85 -24.57 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -109.86 -52.52 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.5 p -97.81 11.55 36.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 22.17 50.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.0 p-10 -103.17 159.81 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 t -53.66 118.18 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -109.74 41.37 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.35 -56.32 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -83.58 -45.13 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD12 ' CB ' ' A' ' 75' ' ' CYS . 9.8 pt -69.33 172.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.26 -176.38 43.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 3.3 p90 -162.3 161.9 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 79' ' ' TYR . 86.2 t -134.94 126.58 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.84 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -149.38 106.47 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm 56.29 39.65 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.45 45.52 11.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 74' ' ' TYR . . . -153.45 125.87 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -100.4 116.71 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.436 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 70.0 m-85 -114.75 125.6 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.443 ' CB ' HD12 ' A' ' 64' ' ' ILE . 28.9 p -59.58 154.74 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.7 pt-20 -45.05 -36.26 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 17.9 mt -62.16 -53.59 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.77 -40.35 94.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 4.4 t80 -63.05 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 84' ' ' ALA . 30.8 tp10 -49.59 -18.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -79.51 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -99.09 -57.49 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 12.5 m-85 -44.75 -63.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 80' ' ' GLU . . . -50.7 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.3 p -37.56 135.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.31 151.16 37.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.21 57.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.211 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.2 p 39.29 43.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.4 t -53.91 -49.79 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.433 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -92.56 128.04 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -153.22 131.86 12.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.01 -62.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -72.2 130.69 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -145.51 125.99 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.84 170.59 34.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.33 92.29 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -104.75 137.71 42.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -124.21 19.9 9.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -113.68 154.92 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.4 mm? -67.89 -36.04 79.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 79.5 t -34.19 124.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 30.2 mt-30 -111.74 -174.87 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -149.35 122.66 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.72 123.07 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -67.3 116.35 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -68.4 107.67 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 HG23 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -94.93 125.16 51.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.57 27.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.333 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 150.54 44.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.1 -51.81 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -38.73 -60.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.33 153.82 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -131.59 66.79 79.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.69 155.69 65.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 tpt -76.35 122.48 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.77 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.13 -37.41 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -76.94 -66.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.2 -17.57 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 61.76 34.02 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -112.18 142.84 44.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.51 125.98 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 39' ' ' PHE . 12.8 mt -89.24 115.01 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -83.51 -53.13 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.07 -154.07 6.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.19 37.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 35.8 p90 -130.27 172.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -117.63 125.34 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.87 111.94 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.87 23.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 42.35 35.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.22 39.1 97.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -164.1 175.05 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 25.8 p -112.74 159.37 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.7 m95 -154.67 159.88 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -83.86 135.45 42.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -106.67 -25.41 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -99.85 -39.75 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -44.66 97.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -128.88 173.8 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.3 t -77.65 172.53 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.72 -23.43 18.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -111.85 -54.74 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.9 p -94.16 10.33 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 21.47 53.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.5 p-10 -106.0 161.16 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -59.6 112.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -102.94 38.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.13 -52.07 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -82.1 -50.47 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 pt -68.99 175.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.65 -168.5 44.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 14.5 p90 -171.0 156.97 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.5 t -135.1 130.76 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -91.22 122.9 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -152.68 122.56 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt 59.11 44.25 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.47 53.33 46.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB1' ' CE2' ' A' ' 74' ' ' TYR . . . -165.86 142.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.6 123.69 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 64.6 m-85 -119.8 126.56 51.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 29.4 p -62.1 146.24 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -39.32 -36.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 17.0 mt -60.94 -53.58 55.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.59 -51.45 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 83' ' ' PHE . 10.8 t80 -49.47 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -52.83 -33.23 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -64.91 -47.02 79.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.42 -62.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' TYR . 11.4 m-85 -56.69 -63.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.86 69.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 p -168.06 128.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.69 -154.84 7.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 88' ' ' SER . 53.9 Cg_endo -69.75 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 87' ' ' PRO . 40.2 t -33.49 -46.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.9 t -143.35 161.8 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.475 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -103.47 165.16 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -108.43 167.3 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.63 94.91 1.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -95.93 101.38 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -145.2 162.2 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.72 -166.28 28.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.91 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -142.13 160.41 40.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -126.41 121.59 32.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -86.51 151.82 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 67' ' ' VAL . 16.0 mt -76.24 -37.0 58.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.3 t -33.83 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 51.5 mt-30 -108.64 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -146.6 110.03 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.94 126.74 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.3 tp10 -70.35 120.4 15.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.72 124.81 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.443 HG13 ' CE1' ' A' ' 39' ' ' PHE . 31.0 mm -111.12 123.28 35.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.08 22.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.15 29.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.97 73.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -127.69 -57.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -140.61 140.1 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -132.95 61.73 57.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttm -91.03 116.75 29.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -45.63 169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.18 -41.77 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.62 -63.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 p -82.72 -29.57 29.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.7 t30 69.59 42.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -120.45 133.25 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.36 125.06 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 48' ' ' HIS . 40.5 mt -89.04 124.62 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -91.93 -54.75 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 -157.81 10.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.52 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -126.11 179.64 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -121.35 120.65 35.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.2 p -97.32 115.93 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 155.54 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? 50.95 40.05 24.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.04 38.58 89.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.534 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -160.59 164.16 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 p -107.36 136.58 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.2 m95 -129.44 165.45 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.414 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.6 m80 -88.39 140.34 30.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.71 12.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.91 -34.54 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.4 pt-20 -84.74 -43.05 14.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 4.5 t80 -47.05 93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 9.1 p30 -129.36 141.1 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.6 t -45.08 165.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.64 -16.89 25.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -108.84 -65.76 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.58 -17.3 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 55.75 51.15 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -122.18 156.58 33.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -61.07 125.94 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 1.1 mpp? -106.9 45.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.31 -53.03 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 5.0 m-85 -98.6 43.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 61' ' ' MET . 5.9 pt -160.71 -179.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.92 -178.05 37.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 9.9 p90 -168.04 156.92 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' CB ' ' A' ' 12' ' ' LEU . 85.0 t -133.36 129.02 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 26.5 tt0 -87.53 134.0 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' CE2' ' A' ' 83' ' ' PHE . 19.7 tt0 -159.51 129.88 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? 38.6 44.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.62 52.52 33.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.36 131.48 5.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.29 118.8 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -111.24 125.43 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' LEU . 29.4 p -66.29 140.39 58.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.9 pt-20 -34.61 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 29.2 mt -61.72 -54.4 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.83 -41.7 98.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 11.6 t80 -61.11 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -73.67 -60.48 2.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.53 -60.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 17.0 m-85 -44.82 -34.51 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -109.09 86.02 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.5 m -73.71 122.64 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.91 -152.65 13.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.52 5.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 m -68.67 158.22 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -70.3 135.77 49.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.458 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -127.06 122.76 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -149.85 121.71 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.68 79.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -106.5 86.04 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -173.21 116.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.23 105.93 2.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.49 -24.79 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -141.57 173.62 11.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.57 119.26 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' LEU . 6.4 m -106.68 152.36 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -35.94 -36.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' LEU . 97.8 t -33.62 125.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.42 162.93 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -128.31 115.76 18.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 125.91 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.45 120.87 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -74.47 110.39 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.419 HG13 ' CE1' ' A' ' 39' ' ' PHE . 49.2 mm -99.33 127.53 34.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 177.44 5.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.614 2.209 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.68 147.13 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.64 -48.14 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -42.46 -48.72 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.299 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.5 mtt-85 -157.83 141.72 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 35' ' ' ILE . 28.6 p -132.65 61.89 59.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.83 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.63 126.55 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.12 170.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.53 -34.55 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CD2' ' OE2' ' A' ' 51' ' ' GLU . 13.5 t60 -83.4 -70.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -73.89 -22.32 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 60.49 42.94 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.27 137.65 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 35' ' ' ILE . 7.3 p -41.05 140.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 48' ' ' HIS . 19.0 mt -101.26 97.99 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.34 37.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.12 -159.91 22.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.9 12.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.396 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.467 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 12.6 p90 -121.34 174.84 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.67 119.75 35.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -152.82 162.53 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 48.65 34.51 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.72 95.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -162.37 164.96 27.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.625 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.3 p -104.41 154.97 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.9 m95 -151.44 165.31 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 35' ' ' ILE . 10.0 m170 -87.2 138.85 32.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -11.78 31.49 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.54 -21.67 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' OE2' ' CD2' ' A' ' 30' ' ' HIS . 18.0 tt0 -97.63 -43.76 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -45.49 97.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -132.95 162.86 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 1.8 t -63.1 177.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.42 -29.57 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -104.37 -58.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 54' ' ' CYS . 16.4 p -78.38 -11.85 59.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 40.58 49.61 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -113.72 149.13 35.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -46.4 117.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.8 mtm -106.77 39.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.01 -43.06 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.55 -45.71 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.6 pt -85.18 177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.3 -164.75 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -166.63 158.2 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -128.01 130.28 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.94 132.67 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -160.61 123.14 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp 50.09 44.23 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.2 43.82 98.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.87 125.71 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.7 mt -92.29 123.88 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.01 125.51 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.4 p -57.62 163.92 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 77' ' ' LEU . 3.6 pm0 -51.73 -33.75 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.7 mt -64.5 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.427 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 64.1 m -46.94 -47.6 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.663 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 9.5 t80 -55.62 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -52.33 -37.81 56.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -55.98 -43.8 77.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 34.8 m-85 -100.05 -62.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.663 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 33.5 m-85 -48.24 -59.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.0 54.9 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -146.07 132.45 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.09 114.54 3.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.27 28.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.2 m -56.76 164.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -111.24 -50.32 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.519 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 67' ' ' VAL . 7.2 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' LEU . 53.6 t -33.56 107.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 8.1 pt20 -96.36 175.52 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -135.88 166.53 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.27 138.87 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.39 110.41 16.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -67.92 109.52 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.46 128.62 37.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.637 0.732 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.37 24.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 149.01 43.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.62 -43.77 3.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -41.77 -62.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -148.82 151.75 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -125.94 66.65 59.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.73 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.756 2.304 . . . . 0.0 112.306 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 121.75 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -47.67 170.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.91 -39.8 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -76.8 -65.72 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -79.06 -26.0 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.23 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -127.27 140.58 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.95 131.05 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.9 mt -97.9 122.5 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -88.33 -46.47 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.48 30.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.21 32.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HB3' HG21 ' A' ' 35' ' ' ILE . 11.0 p90 -126.73 172.35 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.99 124.23 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.24 115.55 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.94 156.93 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.8 27.24 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.29 34.58 69.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -162.47 168.86 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.624 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 47.9 p -106.6 157.66 17.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.0 m95 -150.99 163.97 37.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -88.66 135.13 32.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.536 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.68 0.94 4.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -106.45 -28.52 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 47.9 mt-10 -97.98 -40.69 8.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 59.1 m-20 -135.89 160.94 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.77 171.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.45 -23.65 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -107.39 -59.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 21.6 p -83.46 -1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' CYS . 16.1 mmmt 34.39 50.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -109.62 164.47 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 60' ' ' THR . 10.1 t -61.78 117.04 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.6 mtm -105.7 39.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.61 -56.08 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -78.95 -57.26 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 75' ' ' CYS . 39.0 pt -61.81 172.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.58 -168.21 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 2.2 p90 -167.55 154.37 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 12' ' ' LEU . 97.3 t -128.52 129.92 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.82 141.57 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -157.37 105.75 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 53.28 42.52 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.32 50.21 8.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.85 124.32 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.29 121.67 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.05 122.49 42.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.615 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -62.58 148.9 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' CYS . 4.7 pt-20 -38.0 -41.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.67 -60.42 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 56.7 m -54.49 -49.79 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.684 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -54.94 -64.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.85 -23.64 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.83 -48.37 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 46.3 m-85 -88.12 -56.67 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 19.6 m-85 -57.65 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB3' HG13 ' A' ' 67' ' ' VAL . 10.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 ' CG1' ' HA3' ' A' ' 65' ' ' GLY . 69.7 t -34.57 113.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.29 -179.57 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm105 -139.42 117.79 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.97 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB3' HG13 ' A' ' 41' ' ' VAL . 7.7 tt0 -61.66 108.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -67.84 106.3 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -97.57 124.98 46.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.084 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 173.32 11.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.39 34.08 79.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -126.42 -66.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -137.09 141.87 42.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -116.63 61.58 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 168.33 21.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.672 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -97.34 118.71 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -44.75 166.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.63 -31.57 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.76 -69.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 p -76.89 -26.66 54.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.2 t30 63.84 49.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -124.7 135.51 53.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HE3' ' A' ' 27' ' ' MET . 14.1 p -46.2 131.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 39' ' ' PHE . 11.2 mt -101.85 129.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -99.98 -53.4 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.54 -156.81 5.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.13 39.6 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.672 ' HB3' HG21 ' A' ' 35' ' ' ILE . 46.2 p90 -131.94 174.63 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -120.28 122.51 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -101.27 113.04 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.76 166.33 28.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 68' ' ' GLU . 4.1 mm? 46.64 31.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.01 35.82 91.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -160.46 170.78 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -110.13 146.03 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 1.4 m95 -140.77 163.46 32.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.0 m80 -85.99 138.28 35.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.535 0.683 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.84 -6.57 18.96 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.31 -28.14 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -92.99 -41.75 9.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -45.24 106.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -147.5 150.06 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.41 174.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.79 -17.22 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -105.06 -63.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.3 p -79.25 -16.01 57.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 53.14 46.75 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -111.62 161.85 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' THR . 5.2 t -54.7 120.52 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 64' ' ' ILE . 32.0 mtm -108.14 41.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.7 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.78 36.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -150.39 177.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -107.71 145.13 16.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -127.94 165.65 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 12' ' ' LEU . 58.5 t -131.71 136.01 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 43' ' ' LEU . 20.1 tt0 -88.85 124.55 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -154.56 119.45 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 54.98 48.84 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.23 37.62 81.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.33 131.99 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -96.33 124.58 40.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -120.8 130.81 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.4 p -67.79 152.27 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 8.9 pt-20 -43.58 -39.01 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 10.0 mt -57.68 -54.34 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -61.16 -57.58 11.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.749 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 9.4 t80 -52.33 -57.21 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.4 tt0 -54.07 -20.79 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -87.23 -46.75 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -84.17 -61.89 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 13.4 m-85 -54.6 -69.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' CG1' ' A' ' 67' ' ' VAL . 1.7 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.719 ' N ' HD12 ' A' ' 12' ' ' LEU . 93.3 t -35.82 120.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.78 176.35 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -148.95 138.83 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.99 132.14 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.17 119.3 19.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.36 105.35 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.437 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 29.7 mm -92.69 126.05 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.31 35.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.6 154.87 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 81.22 -47.57 3.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 12.8 tppt? -37.06 -56.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -152.26 152.3 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.5 p -125.31 65.55 50.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 mmt -112.48 123.97 51.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 t -49.91 131.95 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . . . -84.42 19.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -129.66 -45.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.91 -7.13 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.7 t30 57.51 32.93 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -104.71 136.93 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.82 119.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 39' ' ' PHE . 28.5 mt -87.84 122.12 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.95 -54.34 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.31 -161.14 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.89 24.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.856 ' HB3' HG21 ' A' ' 35' ' ' ILE . 8.0 p90 -125.94 172.85 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.85 132.95 56.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.18 115.3 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.28 165.02 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 42.83 36.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 40.94 99.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -163.03 174.88 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 49.3 p -109.95 161.58 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -159.73 156.36 27.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 35' ' ' ILE . 3.9 m170 -77.79 135.63 63.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.1 Cg_endo -69.75 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.38 -18.03 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -103.16 -42.29 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.25 103.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -141.39 162.89 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.1 t -57.85 171.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.72 -25.29 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.25 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.24 -7.03 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 45.54 44.19 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.88 150.79 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -54.48 117.46 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 mtm -103.32 45.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.31 -52.93 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -87.28 -41.87 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 pt -72.57 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.71 -169.27 42.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -168.18 154.8 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.735 ' CG1' HD13 ' A' ' 12' ' ' LEU . 15.3 t -129.91 129.94 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -85.96 120.8 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 70' ' ' LYS . 14.6 tm-20 -148.94 135.89 19.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 24.9 mmtp 39.64 45.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 42.06 99.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.67 137.25 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -100.76 116.22 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -114.21 129.82 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.98 150.78 48.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.63 -30.5 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.6 mp -66.83 -43.39 83.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.29 -53.27 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.642 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 10.6 t80 -50.51 -57.88 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 39.2 tt0 -53.23 -27.58 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -78.25 -48.53 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -84.53 -61.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 15.1 m-85 -59.3 -64.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.672 HD11 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -38.05 126.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -103.82 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -153.37 128.67 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.41 136.3 40.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.29 117.54 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.18 129.1 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.74 123.77 28.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.99 32.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.67 49.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.62 -41.96 3.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -42.53 -43.24 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 25' ' ' THR . 41.5 ttt85 -172.03 156.23 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' ILE . 38.9 p -127.71 70.79 77.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.88 122.04 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -51.96 166.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.29 -30.16 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -87.45 -67.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -75.06 -18.01 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.5 t30 52.13 50.66 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -130.82 143.02 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG23 ' HE3' ' A' ' 27' ' ' MET . 7.7 p -51.2 133.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 39' ' ' PHE . 15.0 mt -99.25 120.89 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -89.66 -43.73 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.57 -159.63 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.18 24.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.755 ' HB3' HG21 ' A' ' 35' ' ' ILE . 48.4 p90 -122.97 177.72 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.9 mt -121.94 148.39 44.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.58 114.52 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.67 -74.72 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.8 mm? -81.97 73.92 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.16 37.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' LEU . 17.3 ttmt -154.44 170.64 20.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -111.21 132.64 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 3.8 m95 -130.77 145.84 52.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.32 139.88 89.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.705 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.727 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.82 -5.13 15.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.67 -29.96 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -89.55 -44.62 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.21 99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -138.96 162.23 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.69 171.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.84 -11.75 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -120.17 -60.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.1 p -79.03 -7.97 58.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 38.6 52.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.57 171.03 7.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 60' ' ' THR . 9.8 t -70.02 114.78 8.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.2 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.95 -39.98 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 75' ' ' CYS . 34.4 pt -53.1 177.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.36 -171.69 36.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.0 p90 -169.04 163.18 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -134.39 136.33 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -90.0 121.59 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -146.36 123.65 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 47.76 49.64 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.94 41.65 97.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.58 133.91 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 66' ' ' PHE . 96.4 mt -100.13 120.03 39.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -117.92 125.05 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.6 p -60.61 155.83 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -46.62 -36.12 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.4 mt -60.86 -57.05 14.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.32 -49.04 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 24.8 t80 -56.19 -65.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 50.9 tt0 -49.38 -32.85 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -64.09 -46.96 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -93.03 -60.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.2 m-85 -54.5 -63.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 92.9 t -34.73 119.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -114.0 178.34 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -137.68 121.24 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -75.08 135.33 41.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -76.38 122.91 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -79.09 111.44 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -96.52 122.18 58.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 170.34 16.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.271 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 153.62 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 42.36 43.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -130.6 -56.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 25' ' ' THR . 13.2 ttm180 -154.18 146.64 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 36.2 p -111.19 65.78 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.71 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.4 mmt -92.22 120.94 33.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.97 132.19 41.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.33 16.92 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -123.33 -48.78 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -106.82 -15.19 14.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.01 39.34 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -120.72 136.81 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 25' ' ' THR . 3.5 p -52.83 127.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 39' ' ' PHE . 49.4 mt -94.76 121.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -89.28 -53.44 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.16 -159.61 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 133.34 25.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.692 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.4 p90 -124.13 172.16 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 49' ' ' PRO . 16.4 mt -114.97 145.42 42.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.76 114.78 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -130.5 -66.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? -80.69 40.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.23 -37.78 2.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -88.37 172.18 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p -102.28 144.47 30.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -138.11 143.06 40.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.2 m80 -63.46 137.34 97.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 -9.15 25.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -102.2 -39.79 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASN . 75.9 mt-10 -79.71 -46.62 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -42.55 96.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' GLU . 44.5 m-20 -133.01 175.72 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.02 -178.57 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.87 -30.67 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -101.45 -61.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.6 p -77.46 -13.39 59.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt 44.02 50.37 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -112.61 154.74 25.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 7.2 t -51.39 120.46 5.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -106.85 42.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.45 -58.64 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.63 -60.02 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 75' ' ' CYS . 35.8 pt -50.88 170.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.49 -166.32 40.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 34.8 p90 -170.71 158.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -139.43 124.28 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 17.0 tt0 -86.21 121.52 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' LYS . 2.2 tp10 -145.94 139.46 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 34.5 42.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.93 52.34 29.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.55 133.87 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD22 ' HD2' ' A' ' 66' ' ' PHE . 64.5 mt -101.07 116.49 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.9 p -60.71 152.1 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -41.56 -38.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.05 -64.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.8 m -50.64 -53.27 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 83' ' ' PHE . 3.3 t80 -54.79 -60.54 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -48.41 -27.2 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -78.25 -61.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -69.56 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 33.2 m-85 -54.27 -69.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.1 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 60.6 t -34.03 118.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -102.77 -176.43 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -149.48 121.49 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.44 123.81 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.19 105.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.37 105.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.85 122.98 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.9 15.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -76.45 153.51 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.47 44.07 51.82 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -133.61 -55.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -150.95 145.99 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -117.3 65.97 4.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.51 0.671 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.72 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 mmt -118.86 125.09 48.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.9 t -53.76 141.29 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -89.03 20.61 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -133.03 -53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 p -98.27 -12.46 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.05 30.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -110.29 137.87 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -52.78 139.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.787 HG21 ' HB3' ' A' ' 39' ' ' PHE . 38.2 mt -103.13 129.04 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -97.25 -52.82 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 -158.76 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.75 135.9 31.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.395 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.787 ' HB3' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -130.49 176.41 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.79 127.3 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.94 118.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.8 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 52.64 25.83 3.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.8 34.59 62.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -158.08 171.5 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -113.72 145.04 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 4.2 m95 -135.23 165.51 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' HG12 ' A' ' 35' ' ' ILE . 4.1 m170 -90.02 133.96 32.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -107.94 -28.44 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 46.0 mt-10 -101.05 -38.73 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.98 95.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 4.3 p30 -136.69 166.28 23.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.21 174.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.48 -28.89 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -100.05 -58.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.6 p -80.72 -10.18 59.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt 43.0 48.48 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.56 151.79 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -44.68 127.96 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.408 ' HE1' ' HB2' ' A' ' 73' ' ' LEU . 41.4 mtm -117.0 39.61 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.4 -58.35 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -73.12 -45.04 59.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.1 pt -77.27 175.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -167.5 39.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CD1' HD22 ' A' ' 73' ' ' LEU . 6.2 p90 -170.16 150.18 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 12' ' ' LEU . 99.2 t -118.07 128.71 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.76 109.19 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -141.16 122.05 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 53.63 45.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.26 46.33 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.62 134.01 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 66' ' ' PHE . 70.3 mt -100.55 114.27 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -111.93 122.38 47.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.57 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -61.53 152.4 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -44.04 -38.23 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.78 -56.13 26.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.4 m -58.26 -58.59 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 7.8 t80 -53.09 -59.13 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -51.29 -18.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -91.14 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.04 -61.07 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 m-85 -57.93 -73.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 67' ' ' VAL . 1.7 pt? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.51 135.54 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.39 178.41 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -145.54 123.96 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 152.26 39.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.23 112.94 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -62.87 123.11 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -114.62 124.08 31.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.48 34.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 161.3 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 -48.26 3.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -52.46 -40.4 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.303 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.9 mtt-85 -161.69 139.12 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.3 p -132.49 61.34 56.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 171.96 13.51 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.01 125.35 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -48.92 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.584 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -104.97 -46.02 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -72.31 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -77.64 -18.63 56.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.8 t30 56.93 44.84 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -122.36 138.32 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.24 131.86 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.882 HG21 ' HB3' ' A' ' 39' ' ' PHE . 14.2 mt -93.43 115.85 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -85.71 -46.98 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.21 -159.16 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 135.89 31.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.882 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.8 p90 -125.74 176.69 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -117.38 138.27 51.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.93 112.41 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -129.75 -75.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.5 mm? -79.88 72.57 6.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.73 42.25 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.584 ' HD3' ' HB2' ' A' ' 29' ' ' ALA . 21.0 mttm -162.89 171.1 17.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -109.99 134.89 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -130.69 141.2 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 3.9 m80 -67.43 137.06 93.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.23 -44.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -84.75 -42.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -41.58 92.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.3 p30 -137.3 167.01 22.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.48 178.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.06 -26.07 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -101.37 -61.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -77.58 -14.1 59.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 50.11 45.46 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -110.23 149.04 30.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 125.5 11.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG2' HD11 ' A' ' 64' ' ' ILE . 56.2 mtm -111.42 41.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.3 -45.87 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -92.28 -63.42 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 75' ' ' CYS . 24.9 pt -48.37 168.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.96 -164.97 38.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 3.6 p90 -170.76 162.83 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 12' ' ' LEU . 39.8 t -142.33 127.71 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.17 123.21 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' LYS . 3.8 tp10 -152.57 139.46 19.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 3.1 mmmp? 37.41 41.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.48 55.03 22.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.38 141.73 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -104.92 121.56 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.64 128.34 55.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.784 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.9 p -67.28 143.68 56.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 15.1 pt-20 -35.64 -41.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 72.6 mt -56.79 -55.54 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.11 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -55.11 -65.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -49.88 -34.65 20.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -61.83 -47.99 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -92.82 -60.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 26.4 m-85 -52.27 -59.89 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.8 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.6 t -33.3 123.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mt-30 -114.32 177.32 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -146.11 121.14 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -70.32 122.62 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.4 111.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.6 114.68 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.435 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.2 mm -106.63 129.43 24.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.38 34.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -77.29 174.62 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.6 47.57 23.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -56.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . 31.5 mtt180 -127.45 -35.52 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 59.1 p 44.88 47.93 4.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 25' ' ' THR . 53.6 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -89.15 131.19 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -55.05 165.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.22 -31.55 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -82.38 -68.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 p -73.93 -30.99 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 73.2 51.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -137.82 133.62 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' THR . 7.2 p -43.16 139.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 48' ' ' HIS . 4.5 mt -107.13 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -59.26 -58.73 7.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -70.84 -161.83 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.95 39.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.2 p90 -125.74 174.51 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -120.65 132.5 55.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.51 114.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.03 146.17 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.05 25.01 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.0 53.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -108.44 172.38 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.9 p -108.55 160.84 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -153.29 159.51 42.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.516 ' CD2' HG23 ' A' ' 35' ' ' ILE . 10.2 m80 -82.69 138.63 43.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.721 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.685 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.3 Cg_endo -69.78 -7.13 20.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.46 -21.81 11.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -98.5 -30.07 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.89 102.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -133.82 173.25 11.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.445 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 1.9 t -70.61 -179.95 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.35 -24.64 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -104.67 -61.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.51 -16.82 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm 49.27 45.94 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.45 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 t -73.86 116.06 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.488 ' HG2' HD11 ' A' ' 64' ' ' ILE . 44.2 mtm -106.74 43.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.03 -47.39 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.8 -51.53 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 75' ' ' CYS . 14.1 pt -61.08 174.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.26 -172.77 41.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 25.4 p90 -165.11 151.3 10.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.98 126.68 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -86.31 126.24 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -147.03 117.75 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 47.53 49.18 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.91 50.12 59.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.22 129.09 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.78 136.48 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.04 123.22 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.718 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -61.66 144.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.9 pt-20 -35.75 -40.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 73.4 mt -56.72 -61.98 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.5 m -53.79 -46.26 71.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 5.2 t80 -60.23 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.9 tp10 -51.03 -19.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -78.87 -54.24 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 84' ' ' ALA . 26.1 m-85 -96.51 -62.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 10.9 m-85 -43.24 -23.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.808 HD12 ' N ' ' A' ' 13' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.808 ' N ' HD12 ' A' ' 12' ' ' LEU . 73.4 t -35.12 119.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -108.7 173.3 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -139.69 138.25 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 130.42 35.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.17 110.04 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.58 122.18 14.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -114.96 121.79 34.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.12 17.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 151.98 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.71 -50.62 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -40.13 -50.09 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -162.32 149.11 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.9 p -124.44 67.52 47.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.73 163.92 36.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.06 123.15 33.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.05 160.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.55 -19.34 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -96.17 -62.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -81.03 -16.92 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.87 38.94 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -122.25 132.46 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -49.02 135.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.4 mt -94.07 105.79 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -87.75 30.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -162.05 -156.99 8.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.09 15.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.61 ' HB3' HG21 ' A' ' 35' ' ' ILE . 40.3 p90 -127.6 173.26 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -121.4 122.82 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.48 113.44 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.93 146.08 30.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.0 mm? 62.79 26.31 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.69 5.12 86.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -130.53 175.0 9.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.652 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 39.3 p -112.6 163.53 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.2 m95 -158.98 149.03 19.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 35' ' ' ILE . 7.1 m80 -70.94 137.16 84.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.487 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.6 Cg_endo -69.67 -7.63 21.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.15 -20.49 14.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 96.5 mt-10 -102.4 -39.8 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -46.57 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLU . 62.5 m-20 -134.14 150.95 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -48.35 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.96 -14.64 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -116.37 -59.04 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.6 p -83.08 -4.45 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 39.87 36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.42 164.73 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' THR . 9.5 t -60.71 121.79 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.7 mtm -112.48 36.85 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.51 -51.75 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -84.05 -46.51 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.5 pt -70.27 170.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -165.16 40.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -170.42 159.95 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.703 HG13 HD13 ' A' ' 12' ' ' LEU . 21.4 t -132.71 129.79 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -88.2 123.72 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -148.03 127.24 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.6 mttt 41.6 51.64 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.28 48.32 86.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.53 137.1 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -103.88 121.58 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -122.48 124.29 43.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.7 p -61.74 153.09 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 7.7 pt-20 -41.99 -39.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 19.2 mt -58.71 -63.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -49.5 -52.84 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.6 t80 -58.32 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.6 tt0 -52.53 -19.27 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -80.48 -48.7 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -90.51 -55.9 3.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 79' ' ' TYR . 17.4 m-85 -55.8 -59.69 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HB3' HG13 ' A' ' 67' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -37.41 122.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -119.51 172.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -135.76 122.36 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.75 135.91 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.47 114.36 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -67.1 105.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -96.32 123.71 53.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.6 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.27 150.28 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 76.09 -55.11 3.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 8.0 tptt -37.29 -37.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.6 mtt-85 -159.37 141.48 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -134.96 61.33 46.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.554 0.692 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 53.8 Cg_endo -69.77 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.588 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.53 121.63 45.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -47.54 165.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.61 -36.39 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -78.31 -67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -77.39 -29.51 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 67.45 49.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -127.4 139.92 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' HE3' ' A' ' 27' ' ' MET . 10.4 p -48.59 136.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.805 HG21 ' HB3' ' A' ' 39' ' ' PHE . 41.4 mt -104.71 122.2 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -90.66 -54.38 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.22 -157.45 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 145.76 58.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 35' ' ' ILE . 41.2 p90 -140.02 -177.08 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.52 120.49 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.77 111.1 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.41 149.06 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 61.34 25.03 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.4 -24.53 13.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -109.06 175.51 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 m -117.57 165.22 13.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 1.4 m95 -148.46 166.05 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -84.48 134.38 42.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.2 4.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -105.92 -30.98 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.36 -40.46 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -41.51 105.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.78 157.48 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.95 178.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.24 -25.86 13.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -106.77 -61.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 59' ' ' ASN . 22.4 p -79.33 -2.75 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.9 mmtm 36.86 47.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 57' ' ' CYS . 71.7 m-20 -107.2 161.62 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 60' ' ' THR . 1.3 t -59.86 121.38 11.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.8 mtm -107.23 39.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.53 -51.74 5.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -85.63 -64.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.3 pt -50.27 170.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.11 -166.95 43.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 6.4 p90 -168.84 158.54 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 12' ' ' LEU . 83.7 t -135.08 127.45 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.14 130.29 34.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -152.93 124.21 7.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 48.14 43.48 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.04 51.88 46.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.96 134.71 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.81 137.12 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -139.17 122.27 16.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.739 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.2 p -58.55 156.18 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.6 pt-20 -44.45 -37.61 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mt -60.71 -60.96 2.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 65.3 m -55.16 -48.28 73.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.74 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 17.9 t80 -55.46 -63.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.35 -35.14 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -63.58 -48.35 77.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.93 -61.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.74 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 19.7 m-85 -54.2 -66.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 12.5 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 t -36.79 138.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -123.44 168.79 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -137.56 132.22 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.62 119.25 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -58.05 120.75 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 3.4 m-70 -71.2 104.76 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.73 124.83 53.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.67 9.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -74.67 147.41 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 85.12 -54.55 4.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' GLY . 22.1 tptp -36.63 -39.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.7 mtt180 -167.95 144.16 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -134.96 62.54 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.494 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 176.51 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ttm -91.53 127.84 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' ' 30' ' ' HIS . 4.5 t -46.09 172.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 -40.28 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 2.7 p-80 -85.34 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 15.5 p -69.96 -22.02 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 60.28 42.26 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -121.04 140.29 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 116.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 48' ' ' HIS . 9.5 mt -74.61 111.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -90.07 51.69 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.55 -153.74 19.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.7 132.65 23.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -133.04 178.11 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.91 118.86 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.52 164.19 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' OE1' ' A' ' 68' ' ' GLU . 1.9 mm? 48.9 25.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.54 45.04 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -174.65 168.5 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.8 p -103.77 153.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' SER . 4.7 m95 -147.51 151.91 37.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.493 ' CE1' HG12 ' A' ' 35' ' ' ILE . 3.5 m80 -76.88 135.83 67.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.531 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 2.58 3.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -106.76 -38.9 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 30' ' ' HIS . 27.3 mt-10 -86.97 -43.04 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.93 99.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.18 166.43 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.32 174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.06 -25.09 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -102.96 -60.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.88 -10.34 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 42.16 51.23 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -112.51 153.23 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -50.36 116.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.0 mtm -104.31 43.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 -46.56 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -87.94 -45.0 10.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 75' ' ' CYS . 41.4 pt -74.7 170.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.34 -174.51 50.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -160.87 158.69 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 79' ' ' TYR . 61.7 t -134.27 128.11 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 43' ' ' LEU . 25.4 tt0 -88.21 121.24 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -147.3 117.97 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 51.78 45.27 28.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.36 49.18 67.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.85 122.5 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.73 118.42 30.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' VAL . 79.2 m-85 -117.6 130.39 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.562 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.8 p -65.4 157.6 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.0 -35.46 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.77 -50.81 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 t80 -52.75 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 34.5 tt0 -50.19 -35.74 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -63.62 -50.83 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -86.45 -62.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 24.8 m-85 -55.2 -65.4 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 5.2 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.917 0.389 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 76.3 t -34.22 117.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -111.57 175.81 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -144.41 123.15 12.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.55 126.79 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.17 107.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.01 107.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.562 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.5 mm -97.02 122.62 55.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.575 0.702 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 145.7 54.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.79 -40.75 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -42.66 -68.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.3 158.47 44.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -127.21 58.49 30.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 160.18 50.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.98 130.1 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -49.15 166.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -100.37 -32.93 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -84.42 -71.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -74.43 -22.29 59.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.0 t30 60.66 51.23 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -123.19 133.6 54.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.02 133.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.2 mt -103.6 129.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -96.27 -53.26 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.56 -156.16 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.26 64.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.7 p90 -144.13 177.08 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 119.79 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -100.71 111.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.58 150.05 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 61.62 38.32 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.9 40.08 98.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.8 pttm -172.08 171.04 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m -120.88 147.14 45.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 45' ' ' LYS . 1.2 m95 -131.52 166.21 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.493 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 2.6 m80 -81.74 129.18 66.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 5.09 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.35 -31.43 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -102.02 -38.19 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.95 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -138.38 172.25 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 5.3 t -67.25 171.67 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.89 -14.05 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -114.05 -45.68 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -104.26 -3.14 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 3.2 mptt 44.13 41.98 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.94 148.52 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -46.35 111.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.0 mtm -100.54 39.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.39 -63.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -77.7 -54.45 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 75' ' ' CYS . 11.5 pt -56.63 169.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.55 -173.51 49.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -165.92 151.03 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.56 127.62 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -86.2 125.57 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -158.89 126.24 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 50.5 46.83 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.21 54.06 40.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.1 134.96 3.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.3 122.38 44.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -113.33 128.59 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.764 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -66.46 140.45 58.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' CYS . 16.9 pt-20 -34.12 -38.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' CYS . 27.1 mt -58.97 -57.71 11.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -55.29 -59.44 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 2.2 t80 -52.75 -51.61 59.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.4 -24.13 63.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -86.85 -31.24 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -98.13 -61.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 6.7 m-85 -59.11 -74.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.092 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD11 HG11 ' A' ' 67' ' ' VAL . 2.0 pt? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 67' ' ' VAL . 78.1 t -40.49 119.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -87.5 -178.94 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -153.66 145.04 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -98.58 125.87 43.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.02 121.34 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -70.4 116.29 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 23' ' ' LYS . 30.5 mm -103.14 130.91 22.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.72 29.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.12 153.27 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.77 -48.18 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HD2' HG23 ' A' ' 19' ' ' ILE . 9.1 tmtt? -47.78 -41.94 24.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -150.13 137.15 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -135.06 58.82 29.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.77 2.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -49.64 171.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.69 -44.96 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -72.69 -63.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -81.45 -25.45 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.2 t30 61.54 46.09 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -124.53 141.38 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.8 127.68 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.828 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.6 mt -95.63 103.23 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm105 -75.82 -37.38 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.41 -168.96 43.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.89 11.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.828 ' HB3' HG21 ' A' ' 35' ' ' ILE . 52.8 p90 -109.09 178.72 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 49' ' ' PRO . 5.8 mt -120.68 121.5 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -105.63 113.22 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -129.77 -69.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.8 mm? -87.45 74.48 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 36.66 28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' LEU . 47.1 mtmt -150.48 168.98 22.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 95.9 p -110.79 128.86 55.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.8 m95 -124.63 141.56 52.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.2 m80 -63.61 138.94 97.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.74 -4.02 13.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.12 -39.44 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ASN . 82.9 mt-10 -83.44 -44.27 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -44.17 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLU . 70.5 m-20 -135.3 163.9 28.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.35 176.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.07 -27.52 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -101.84 -60.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.0 p -80.98 -6.9 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp 38.5 48.66 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -111.62 158.17 19.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -53.95 123.88 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.8 mtm -112.61 42.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.81 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -68.6 -62.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 75' ' ' CYS . 2.2 pp -61.59 168.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 64' ' ' ILE . . . -100.33 172.75 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 73' ' ' LEU . 34.5 p90 -141.53 177.78 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 13' ' ' VAL . 46.3 t -138.02 128.0 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -86.72 122.01 30.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.82 112.77 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 41.12 39.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.28 46.24 5.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 74' ' ' TYR . . . -153.32 122.63 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.582 HD22 ' CD1' ' A' ' 66' ' ' PHE . 55.2 mt -98.03 122.01 40.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 77.8 m-85 -126.31 127.41 45.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD13 ' A' ' 64' ' ' ILE . 28.2 p -61.21 147.46 44.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.94 -25.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.53 -51.68 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.41 -51.34 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 25.4 t80 -49.53 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.576 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 28.7 tt0 -51.44 -30.71 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -71.29 -45.16 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -92.8 -62.27 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 9.7 m-85 -55.6 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' VAL . 23.3 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.832 0.349 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' LEU . 48.0 t -34.71 124.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.586 ' HG3' ' CD1' ' A' ' 66' ' ' PHE . 1.4 pt20 -113.99 153.04 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 162.51 22.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.21 144.55 31.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.56 112.57 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -59.16 123.95 18.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.622 HG21 ' CE2' ' A' ' 39' ' ' PHE . 47.0 mm -117.15 123.96 29.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 174.36 9.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 155.48 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 77.07 -50.04 3.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' GLY . 32.6 tttt -34.03 -48.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 25' ' ' THR . 32.9 ttm-85 -164.91 147.17 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 72.9 p -122.49 70.52 35.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.82 -177.68 2.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -104.06 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.36 171.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.3 -46.16 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -74.74 -63.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -79.56 -19.38 49.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.36 48.97 21.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -123.46 137.53 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.0 p -45.86 122.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.4 mt -92.09 117.97 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -85.29 -55.23 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.04 6.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 137.45 35.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.748 ' HB3' HG21 ' A' ' 35' ' ' ILE . 32.7 p90 -127.67 175.9 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 49' ' ' PRO . 8.6 mt -118.63 156.64 28.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.13 113.69 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -134.79 -62.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.0 mm? -87.68 75.11 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 30.86 38.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' LEU . 24.3 mtmm -158.66 174.83 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -113.27 128.5 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -126.69 136.42 52.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.7 m80 -62.61 141.11 96.95 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.71 -12.15 32.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.49 -35.01 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASN . 68.7 mt-10 -84.23 -46.16 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 90.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . 47.3 m-80 -131.36 145.18 51.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.507 ' N ' ' SD ' ' A' ' 61' ' ' MET . 12.3 t -46.88 168.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.46 -14.87 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -108.25 -51.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.75 -6.61 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER 45.49 53.51 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -117.47 142.39 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 60' ' ' THR . 8.8 t -49.99 123.95 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -108.39 39.06 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.07 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -92.56 -44.54 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.684 HD12 ' HB2' ' A' ' 75' ' ' CYS . 17.3 pt -73.62 173.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.32 -170.15 40.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.491 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' ' HG3' ' A' ' 14' ' ' GLN . 6.4 p90 -166.63 169.17 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 79' ' ' TYR . 95.3 t -140.53 123.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD23 ' A' ' 73' ' ' LEU . 28.6 tt0 -86.35 127.11 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -155.46 123.73 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttm 52.9 35.8 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.4 43.76 44.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.03 128.48 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 68' ' ' GLU . 80.7 mt -97.02 122.94 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -116.34 127.18 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.684 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.8 p -64.24 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 75' ' ' CYS . 15.5 pt-20 -32.83 -41.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.4 mp -55.96 -58.89 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.96 -46.3 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 4.3 t80 -59.27 -67.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -50.83 -28.53 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -66.68 -53.64 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -87.72 -60.3 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 31.3 m-85 -51.76 -59.64 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.02 HD11 HG13 ' A' ' 67' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' LEU . 54.0 t -30.66 117.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 68.3 mt-30 -97.41 175.06 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -144.17 121.11 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . . . -68.77 124.25 23.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.11 123.89 21.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.29 119.8 15.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.528 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 48.3 mm -113.22 124.41 31.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.55 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 161.05 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.68 -46.87 2.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -171.67 146.72 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' ILE . 53.1 p -118.92 72.37 11.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.557 0.694 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.77 176.48 6.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.45 117.63 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.57 168.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . . . -106.02 -42.49 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.77 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.2 p -81.42 -27.15 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 62.83 46.92 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -125.2 135.04 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 5.9 p -43.39 140.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 39' ' ' PHE . 5.6 mt -108.8 113.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -80.56 -47.74 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.27 -158.7 21.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.28 30.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 26' ' ' PRO . 47.3 p90 -122.21 171.7 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 49' ' ' PRO . 9.0 mt -115.75 159.06 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -147.04 116.21 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.648 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -132.59 -66.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 66' ' ' PHE . 3.7 mm? -87.36 74.05 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.73 33.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LEU . 26.0 mttm -152.73 171.47 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.3 p -109.16 138.94 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' A' ' 29' ' ' ALA . 3.2 m95 -139.54 132.01 28.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.4 m80 -53.92 142.24 45.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.733 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.78 -19.72 35.67 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -94.33 -37.58 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.8 tt0 -77.76 -47.19 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -47.48 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' GLU . 64.0 m-20 -127.95 178.06 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.35 175.3 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.91 -29.65 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -100.65 -61.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.11 -7.85 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 39.24 49.7 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -107.51 160.84 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 t -56.0 114.86 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 39.9 mtm -102.84 41.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.38 -54.54 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -80.85 -59.04 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.744 HD12 ' HB2' ' A' ' 75' ' ' CYS . 42.2 pt -58.86 171.06 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.52 -165.21 40.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.648 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 18.4 p90 -164.86 169.41 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.02 HG13 HD11 ' A' ' 12' ' ' LEU . 58.5 t -140.64 128.8 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -85.55 127.81 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -151.95 121.92 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt 42.8 40.6 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.64 48.25 18.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.75 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 66' ' ' PHE . 92.3 mt -102.8 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -108.25 128.1 54.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.744 ' HB2' HD12 ' A' ' 64' ' ' ILE . 30.0 p -61.36 140.89 57.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' CYS . 9.0 pt-20 -35.83 -37.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.98 -56.31 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 56.6 m -56.61 -58.38 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 12.9 t80 -48.02 -62.63 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 11.9 tt0 -52.41 -38.76 59.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' CYS . 13.8 mtmt -58.79 -38.61 78.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -100.72 -63.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.4 m-85 -50.36 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 43.5 tp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.4 t -33.34 122.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -102.77 -179.28 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -147.1 132.61 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.84 144.11 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -87.05 112.32 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.07 116.76 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.49 121.63 42.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.84 15.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.62 164.99 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 23' ' ' LYS . . . 69.8 20.74 76.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -114.01 -63.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.321 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -143.61 142.82 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 p -115.76 68.49 3.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG2' HD12 ' A' ' 35' ' ' ILE . 53.5 Cg_endo -69.78 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -112.58 118.23 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.1 170.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.25 -48.4 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -74.07 -60.68 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.92 -24.42 41.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 56.19 47.4 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -122.76 136.63 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.6 p -45.39 134.38 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.865 HG21 ' HB3' ' A' ' 39' ' ' PHE . 25.6 mt -102.15 126.14 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -98.53 -49.35 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -157.34 12.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.63 28.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.865 ' HB3' HG21 ' A' ' 35' ' ' ILE . 19.6 p90 -128.48 167.57 16.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.48 152.92 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.3 113.25 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.95 -63.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -89.11 74.16 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.1 34.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.448 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LEU . 32.1 mtmt -153.22 171.26 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -110.17 132.42 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -129.04 136.63 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.498 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 4.8 m80 -64.6 137.62 97.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 8.5 pt-20 -101.27 -48.3 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 pt-20 -81.85 -42.48 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -42.84 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.8 p30 -138.9 174.11 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' MET . 2.0 t -67.57 179.24 1.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 -31.06 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -100.23 -59.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 p -78.94 -10.25 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 40.33 46.52 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -106.15 156.09 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -49.43 114.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' CYS . 29.3 mtm -104.3 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.57 -53.52 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 75' ' ' CYS . 45.5 pt -58.89 171.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.87 -166.23 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.651 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 26.3 p90 -167.3 160.5 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 13' ' ' VAL . 85.9 t -138.52 124.08 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.77 115.72 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -138.1 124.87 21.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.11 46.57 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.74 57.11 10.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -167.42 127.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -94.59 123.13 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' VAL . 83.9 m-85 -120.81 129.18 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.681 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.6 p -66.19 148.95 51.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' CYS . 11.4 pt-20 -38.24 -39.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.39 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.2 m -55.41 -54.64 41.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.789 ' CD2' ' CD2' ' A' ' 83' ' ' PHE . 11.0 t80 -49.27 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -46.57 -48.5 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -46.12 -50.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -91.01 -63.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.789 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 22.5 m-85 -47.89 -59.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.5 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' LEU . 69.4 t -33.72 114.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 6.0 pt20 -127.88 161.44 29.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -125.17 145.03 50.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.95 134.87 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 9.8 tp10 -68.14 119.0 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -74.01 105.05 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 20' ' ' PRO . 17.0 mm -94.34 133.52 27.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 19' ' ' ILE . 53.3 Cg_endo -69.88 166.15 28.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -81.84 148.74 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.47 33.23 23.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.1 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 32.9 mtt180 -120.4 -46.56 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 62.2 p 50.49 50.58 9.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 25' ' ' THR . 54.2 Cg_endo -69.76 168.31 21.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -84.39 129.36 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.64 168.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.23 -33.81 9.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -82.78 -65.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -76.49 -26.15 54.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.44 53.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -136.13 137.07 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.6 136.23 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 48' ' ' HIS . 5.8 mt -103.07 94.28 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -54.24 -63.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -66.85 -161.57 1.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.417 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.8 26.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.436 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 50.6 p90 -111.08 175.49 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 ' HA ' ' A' ' 49' ' ' PRO . 7.3 mt -120.9 125.03 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.3 p -102.37 114.81 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -154.47 149.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 55.8 40.82 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.73 41.81 90.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -168.23 157.89 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.7 p -98.99 155.97 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.4 m95 -149.29 161.69 41.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 35' ' ' ILE . 6.5 m80 -81.33 137.53 48.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.757 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.76 -8.11 22.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.18 -27.28 9.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -92.64 -38.65 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.23 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.69 177.41 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.0 t -77.47 174.69 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.85 -24.57 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -109.86 -52.52 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.5 p -97.81 11.55 36.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 22.17 50.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.0 p-10 -103.17 159.81 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 60' ' ' THR . 4.1 t -53.66 118.18 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -109.74 41.37 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.35 -56.32 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -83.58 -45.13 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 ' HB2' ' A' ' 75' ' ' CYS . 9.8 pt -69.33 172.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.26 -176.38 43.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 3.3 p90 -162.3 161.9 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.66 HG21 ' CD2' ' A' ' 79' ' ' TYR . 86.2 t -134.94 126.58 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.84 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -149.38 106.47 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm 56.29 39.65 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.45 45.52 11.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.45 125.87 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -100.4 116.71 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.75 125.6 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.601 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.9 p -59.58 154.74 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.7 pt-20 -45.05 -36.26 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 17.9 mt -62.16 -53.59 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.77 -40.35 94.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.66 ' CD2' HG21 ' A' ' 67' ' ' VAL . 4.4 t80 -63.05 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 84' ' ' ALA . 30.8 tp10 -49.59 -18.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -79.51 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -99.09 -57.49 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 12.5 m-85 -44.75 -63.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 79.5 t -34.19 124.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 84.5 mt-30 -111.74 -174.87 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -149.35 122.66 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.72 123.07 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -67.3 116.35 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -68.4 107.67 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -94.93 125.16 51.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.57 27.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.333 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 150.54 44.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.1 -51.81 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -38.73 -60.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.33 153.82 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -131.59 66.79 79.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.69 155.69 65.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 tpt -76.35 122.48 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.77 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.13 -37.41 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -76.94 -66.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.2 -17.57 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 61.76 34.02 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -112.18 142.84 44.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.51 125.98 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.893 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.8 mt -89.24 115.01 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -83.51 -53.13 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.07 -154.07 6.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.19 37.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.893 ' HB3' HG21 ' A' ' 35' ' ' ILE . 35.8 p90 -130.27 172.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.2 mt -117.63 125.34 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.87 111.94 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.87 23.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.6 mm? 42.35 35.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.22 39.1 97.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -164.1 175.05 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 25.8 p -112.74 159.37 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.7 m95 -154.67 159.88 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -83.86 135.45 42.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.79 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -106.67 -25.41 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -99.85 -39.75 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -44.66 97.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -128.88 173.8 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.3 t -77.65 172.53 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.72 -23.43 18.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -111.85 -54.74 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.9 p -94.16 10.33 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 21.47 53.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.5 p-10 -106.0 161.16 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -59.6 112.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -102.94 38.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.13 -52.07 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -82.1 -50.47 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 75' ' ' CYS . 47.6 pt -68.99 175.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.65 -168.5 44.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 14.5 p90 -171.0 156.97 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.5 t -135.1 130.76 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -91.22 122.9 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -152.68 122.56 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt 59.11 44.25 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.47 53.33 46.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.86 142.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.6 123.69 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -119.8 126.56 51.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.621 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.4 p -62.1 146.24 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -39.32 -36.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 17.0 mt -60.94 -53.58 55.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.59 -51.45 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 83' ' ' PHE . 10.8 t80 -49.47 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.587 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 55.2 tt0 -52.83 -33.23 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -64.91 -47.02 79.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.42 -62.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' TYR . 11.4 m-85 -56.69 -63.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.3 t -33.83 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 51.5 mt-30 -108.64 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -146.6 110.03 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.94 126.74 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.3 tp10 -70.35 120.4 15.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.72 124.81 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 39' ' ' PHE . 31.0 mm -111.12 123.28 35.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.08 22.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.15 29.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.97 73.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -127.69 -57.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.8 mtt-85 -140.61 140.1 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -132.95 61.73 57.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttm -91.03 116.75 29.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -45.63 169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . . . -108.18 -41.77 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.62 -63.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 p -82.72 -29.57 29.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.7 t30 69.59 42.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -120.45 133.25 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.36 125.06 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.846 HG21 ' HB3' ' A' ' 39' ' ' PHE . 40.5 mt -89.04 124.62 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -91.93 -54.75 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 -157.81 10.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.52 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.4 p90 -126.11 179.64 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 49' ' ' PRO . 3.1 mt -121.35 120.65 35.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.2 p -97.32 115.93 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 155.54 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? 50.95 40.05 24.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.04 38.58 89.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.534 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 29' ' ' ALA . 29.0 mtmt -160.59 164.16 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 p -107.36 136.58 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.2 m95 -129.44 165.45 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.6 m80 -88.39 140.34 30.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.82 -3.71 12.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.91 -34.54 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.4 pt-20 -84.74 -43.05 14.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 4.5 t80 -47.05 93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -129.36 141.1 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.6 t -45.08 165.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.64 -16.89 25.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -108.84 -65.76 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.58 -17.3 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 55.75 51.15 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.18 156.58 33.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -61.07 125.94 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.505 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 1.1 mpp? -106.9 45.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.31 -53.03 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' O ' HG23 ' A' ' 64' ' ' ILE . 5.0 m-85 -98.6 43.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' TYR . 5.9 pt -160.71 -179.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.92 -178.05 37.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 9.9 p90 -168.04 156.92 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.36 129.02 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 26.5 tt0 -87.53 134.0 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' CE2' ' A' ' 83' ' ' PHE . 19.7 tt0 -159.51 129.88 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? 38.6 44.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.62 52.52 33.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.36 131.48 5.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.29 118.8 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -111.24 125.43 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' LEU . 29.4 p -66.29 140.39 58.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.9 pt-20 -34.61 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 29.2 mt -61.72 -54.4 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.83 -41.7 98.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 11.6 t80 -61.11 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 15.3 tp10 -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -73.67 -60.48 2.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.53 -60.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 17.0 m-85 -44.82 -34.51 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.945 HD12 HG13 ' A' ' 67' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' LEU . 97.8 t -33.62 125.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.42 162.93 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -128.31 115.76 18.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 125.91 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.45 120.87 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -74.47 110.39 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 39' ' ' PHE . 49.2 mm -99.33 127.53 34.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 177.44 5.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.614 2.209 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -81.68 147.13 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.64 -48.14 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -42.46 -48.72 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.299 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.5 mtt-85 -157.83 141.72 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.6 p -132.65 61.89 59.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.83 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.63 126.55 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.12 170.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -101.53 -34.55 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -83.4 -70.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -73.89 -22.32 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 60.49 42.94 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.27 137.65 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -41.05 140.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.899 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.0 mt -101.26 97.99 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.34 37.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -175.12 -159.91 22.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 125.9 12.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.396 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.6 p90 -121.34 174.84 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 49' ' ' PRO . 1.1 mt -118.67 119.75 35.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -152.82 162.53 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.3 mm? 48.65 34.51 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.72 95.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -162.37 164.96 27.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.625 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.3 p -104.41 154.97 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.9 m95 -151.44 165.31 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 35' ' ' ILE . 10.0 m170 -87.2 138.85 32.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.723 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.79 -11.78 31.49 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.54 -21.67 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -97.63 -43.76 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -45.49 97.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -132.95 162.86 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 1.8 t -63.1 177.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.42 -29.57 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -104.37 -58.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 54' ' ' CYS . 16.4 p -78.38 -11.85 59.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 40.58 49.61 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -113.72 149.13 35.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 60' ' ' THR . 9.1 t -46.4 117.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.8 mtm -106.77 39.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.01 -43.06 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.55 -45.71 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.724 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.6 pt -85.18 177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.3 -164.75 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -166.63 158.2 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.945 HG13 HD12 ' A' ' 12' ' ' LEU . 89.6 t -128.01 130.28 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.94 132.67 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -160.61 123.14 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp 50.09 44.23 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.2 43.82 98.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.87 125.71 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.7 mt -92.29 123.88 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.01 125.51 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.724 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.4 p -57.62 163.92 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 77' ' ' LEU . 3.6 pm0 -51.73 -33.75 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.7 mt -64.5 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.427 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 64.1 m -46.94 -47.6 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.663 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 9.5 t80 -55.62 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -52.33 -37.81 56.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -55.98 -43.8 77.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 34.8 m-85 -100.05 -62.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.663 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 33.5 m-85 -48.24 -59.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -153.26 167.82 28.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -108.7 152.12 25.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.12 -95.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m 44.05 42.11 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -146.18 142.73 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 176.81 33.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.34 170.22 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -81.61 130.01 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -137.89 171.67 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -76.08 151.13 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 67' ' ' VAL . 7.2 tt -60.35 -38.61 84.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' LEU . 53.6 t -33.56 107.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 8.1 pt20 -96.36 175.52 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -135.88 166.53 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.27 138.87 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.39 110.41 16.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -67.92 109.52 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.46 128.62 37.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.637 0.732 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.37 24.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 149.01 43.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.62 -43.77 3.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -41.77 -62.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -148.82 151.75 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -125.94 66.65 59.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.73 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.756 2.304 . . . . 0.0 112.306 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 121.75 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -47.67 170.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.91 -39.8 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -76.8 -65.72 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -79.06 -26.0 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.23 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -127.27 140.58 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.95 131.05 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.9 mt -97.9 122.5 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -88.33 -46.47 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.48 30.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.21 32.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HB3' HG21 ' A' ' 35' ' ' ILE . 11.0 p90 -126.73 172.35 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.99 124.23 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.24 115.55 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.94 156.93 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.8 27.24 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.29 34.58 69.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -162.47 168.86 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.624 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 47.9 p -106.6 157.66 17.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.0 m95 -150.99 163.97 37.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -88.66 135.13 32.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.536 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.68 0.94 4.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -106.45 -28.52 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 47.9 mt-10 -97.98 -40.69 8.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 59.1 m-20 -135.89 160.94 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.77 171.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.45 -23.65 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -107.39 -59.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 21.6 p -83.46 -1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' CYS . 16.1 mmmt 34.39 50.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -109.62 164.47 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 60' ' ' THR . 10.1 t -61.78 117.04 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.6 mtm -105.7 39.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.61 -56.08 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -78.95 -57.26 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 75' ' ' CYS . 39.0 pt -61.81 172.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.58 -168.21 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 2.2 p90 -167.55 154.37 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 12' ' ' LEU . 97.3 t -128.52 129.92 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.82 141.57 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -157.37 105.75 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 53.28 42.52 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.32 50.21 8.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.85 124.32 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.29 121.67 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.05 122.49 42.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.615 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -62.58 148.9 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' CYS . 4.7 pt-20 -38.0 -41.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.67 -60.42 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 56.7 m -54.49 -49.79 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.684 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -54.94 -64.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.85 -23.64 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.83 -48.37 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 46.3 m-85 -88.12 -56.67 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 19.6 m-85 -57.65 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.21 74.98 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.1 m -74.7 89.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.45 -173.61 33.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 135.51 30.63 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -107.85 119.96 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t -51.28 -43.31 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -102.66 86.61 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 t -125.89 142.95 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.36 89.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -54.18 160.86 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 p -134.19 131.15 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.89 57.06 11.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.82 -25.14 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.735 0.302 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -56.13 173.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.72 21.77 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -116.66 148.03 41.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB3' HG13 ' A' ' 67' ' ' VAL . 10.5 mt -67.8 -36.61 80.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.468 ' CG1' ' HA3' ' A' ' 65' ' ' GLY . 69.7 t -34.57 113.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.29 -179.57 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm105 -139.42 117.79 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.97 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB3' HG13 ' A' ' 41' ' ' VAL . 7.7 tt0 -61.66 108.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -67.84 106.3 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -97.57 124.98 46.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.084 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 173.32 11.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.39 34.08 79.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -126.42 -66.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -137.09 141.87 42.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -116.63 61.58 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 168.33 21.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.672 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -97.34 118.71 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -44.75 166.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.63 -31.57 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.76 -69.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 p -76.89 -26.66 54.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.2 t30 63.84 49.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -124.7 135.51 53.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HE3' ' A' ' 27' ' ' MET . 14.1 p -46.2 131.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 39' ' ' PHE . 11.2 mt -101.85 129.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -99.98 -53.4 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.54 -156.81 5.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.13 39.6 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.672 ' HB3' HG21 ' A' ' 35' ' ' ILE . 46.2 p90 -131.94 174.63 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -120.28 122.51 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -101.27 113.04 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.76 166.33 28.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 68' ' ' GLU . 4.1 mm? 46.64 31.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.01 35.82 91.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -160.46 170.78 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -110.13 146.03 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 1.4 m95 -140.77 163.46 32.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.0 m80 -85.99 138.28 35.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.535 0.683 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.84 -6.57 18.96 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.31 -28.14 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -92.99 -41.75 9.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -45.24 106.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -147.5 150.06 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.41 174.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.79 -17.22 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -105.06 -63.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.3 p -79.25 -16.01 57.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 53.14 46.75 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -111.62 161.85 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' THR . 5.2 t -54.7 120.52 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 64' ' ' ILE . 32.0 mtm -108.14 41.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.7 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.78 36.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -150.39 177.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -107.71 145.13 16.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -127.94 165.65 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 12' ' ' LEU . 58.5 t -131.71 136.01 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 43' ' ' LEU . 20.1 tt0 -88.85 124.55 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -154.56 119.45 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 54.98 48.84 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.23 37.62 81.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.33 131.99 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -96.33 124.58 40.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -120.8 130.81 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.4 p -67.79 152.27 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 8.9 pt-20 -43.58 -39.01 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 10.0 mt -57.68 -54.34 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -61.16 -57.58 11.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.749 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 9.4 t80 -52.33 -57.21 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.4 tt0 -54.07 -20.79 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -87.23 -46.75 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -84.17 -61.89 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 13.4 m-85 -54.6 -69.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -67.89 82.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.2 t -74.14 89.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.38 69.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.5 3.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.6 t 67.52 51.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -92.69 -42.95 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.448 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -57.64 -49.51 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -151.81 154.35 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.8 -174.34 16.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -104.6 171.66 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -147.25 157.13 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.22 135.13 34.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -127.63 119.49 26.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 50.69 50.68 18.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.97 134.24 55.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.9 m -51.91 136.67 28.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' CG1' ' A' ' 67' ' ' VAL . 1.7 pp -36.88 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.719 ' N ' HD12 ' A' ' 12' ' ' LEU . 93.3 t -35.82 120.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.78 176.35 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -148.95 138.83 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.99 132.14 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.17 119.3 19.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.36 105.35 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.437 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 29.7 mm -92.69 126.05 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.31 35.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.6 154.87 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 81.22 -47.57 3.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 12.8 tppt? -37.06 -56.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -152.26 152.3 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.5 p -125.31 65.55 50.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 mmt -112.48 123.97 51.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 t -49.91 131.95 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . . . -84.42 19.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -129.66 -45.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.91 -7.13 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.7 t30 57.51 32.93 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -104.71 136.93 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.82 119.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 39' ' ' PHE . 28.5 mt -87.84 122.12 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.95 -54.34 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.31 -161.14 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.89 24.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.856 ' HB3' HG21 ' A' ' 35' ' ' ILE . 8.0 p90 -125.94 172.85 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.85 132.95 56.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.18 115.3 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.28 165.02 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 42.83 36.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 40.94 99.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -163.03 174.88 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 49.3 p -109.95 161.58 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -159.73 156.36 27.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 35' ' ' ILE . 3.9 m170 -77.79 135.63 63.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.1 Cg_endo -69.75 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.38 -18.03 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -103.16 -42.29 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.25 103.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -141.39 162.89 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.1 t -57.85 171.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.72 -25.29 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -103.25 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.24 -7.03 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 45.54 44.19 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.88 150.79 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -54.48 117.46 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 mtm -103.32 45.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.31 -52.93 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -87.28 -41.87 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 pt -72.57 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.71 -169.27 42.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -168.18 154.8 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.735 ' CG1' HD13 ' A' ' 12' ' ' LEU . 15.3 t -129.91 129.94 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -85.96 120.8 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 70' ' ' LYS . 14.6 tm-20 -148.94 135.89 19.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 24.9 mmtp 39.64 45.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 42.06 99.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.67 137.25 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -100.76 116.22 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -114.21 129.82 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.98 150.78 48.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.63 -30.5 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.6 mp -66.83 -43.39 83.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.29 -53.27 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.642 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 10.6 t80 -50.51 -57.88 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 39.2 tt0 -53.23 -27.58 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -78.25 -48.53 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -84.53 -61.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 15.1 m-85 -59.3 -64.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -85.52 54.36 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 81.1 p -84.04 44.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.57 -156.57 22.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.5 66.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -78.3 98.44 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t 55.8 41.99 29.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.505 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -120.59 150.71 40.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -121.66 161.95 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.1 -124.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 m 48.5 42.38 18.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -81.76 -57.66 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.88 125.42 5.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -109.64 88.26 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.11 139.2 31.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.85 22.79 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -129.31 142.0 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -50.95 -35.94 36.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -38.05 126.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -103.82 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -153.37 128.67 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.41 136.3 40.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.29 117.54 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.18 129.1 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.74 123.77 28.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.99 32.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.67 49.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.62 -41.96 3.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -42.53 -43.24 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 25' ' ' THR . 41.5 ttt85 -172.03 156.23 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' ILE . 38.9 p -127.71 70.79 77.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.88 122.04 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -51.96 166.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.29 -30.16 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -87.45 -67.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -75.06 -18.01 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.5 t30 52.13 50.66 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -130.82 143.02 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG23 ' HE3' ' A' ' 27' ' ' MET . 7.7 p -51.2 133.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 39' ' ' PHE . 15.0 mt -99.25 120.89 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -89.66 -43.73 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.57 -159.63 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.18 24.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.755 ' HB3' HG21 ' A' ' 35' ' ' ILE . 48.4 p90 -122.97 177.72 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.9 mt -121.94 148.39 44.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.58 114.52 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.67 -74.72 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.8 mm? -81.97 73.92 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.16 37.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' LEU . 17.3 ttmt -154.44 170.64 20.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -111.21 132.64 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 3.8 m95 -130.77 145.84 52.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.32 139.88 89.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.705 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.727 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.82 -5.13 15.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.67 -29.96 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -89.55 -44.62 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.21 99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -138.96 162.23 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.69 171.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.84 -11.75 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -120.17 -60.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.1 p -79.03 -7.97 58.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 38.6 52.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.57 171.03 7.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 60' ' ' THR . 9.8 t -70.02 114.78 8.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.2 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.95 -39.98 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 75' ' ' CYS . 34.4 pt -53.1 177.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.36 -171.69 36.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.0 p90 -169.04 163.18 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -134.39 136.33 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -90.0 121.59 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -146.36 123.65 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 47.76 49.64 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.94 41.65 97.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.58 133.91 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 66' ' ' PHE . 96.4 mt -100.13 120.03 39.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -117.92 125.05 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.6 p -60.61 155.83 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -46.62 -36.12 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.4 mt -60.86 -57.05 14.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.32 -49.04 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 24.8 t80 -56.19 -65.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 50.9 tt0 -49.38 -32.85 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -64.09 -46.96 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -93.03 -60.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.2 m-85 -54.5 -63.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -76.44 85.63 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -76.74 149.69 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.98 -156.26 25.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.38 36.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.2 p -50.82 141.89 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.1 p -143.48 127.03 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.458 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -117.37 140.71 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -124.09 145.32 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.97 145.75 5.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -118.7 153.11 34.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -112.26 156.02 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.51 97.1 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -132.59 110.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.62 127.08 30.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -150.68 133.17 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -64.4 143.8 57.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' H ' HD12 ' A' ' 12' ' ' LEU . 8.4 mp -42.88 -34.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 92.9 t -34.73 119.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -114.0 178.34 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -137.68 121.24 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -75.08 135.33 41.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -76.38 122.91 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -79.09 111.44 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -96.52 122.18 58.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 170.34 16.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.271 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 153.62 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 42.36 43.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -130.6 -56.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 25' ' ' THR . 13.2 ttm180 -154.18 146.64 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 36.2 p -111.19 65.78 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.71 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.4 mmt -92.22 120.94 33.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.97 132.19 41.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.33 16.92 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -123.33 -48.78 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -106.82 -15.19 14.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.01 39.34 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -120.72 136.81 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 25' ' ' THR . 3.5 p -52.83 127.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 39' ' ' PHE . 49.4 mt -94.76 121.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -89.28 -53.44 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.16 -159.61 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 133.34 25.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.692 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.4 p90 -124.13 172.16 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 49' ' ' PRO . 16.4 mt -114.97 145.42 42.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.76 114.78 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -130.5 -66.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? -80.69 40.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.23 -37.78 2.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -88.37 172.18 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p -102.28 144.47 30.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -138.11 143.06 40.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.2 m80 -63.46 137.34 97.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 -9.15 25.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -102.2 -39.79 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASN . 75.9 mt-10 -79.71 -46.62 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -42.55 96.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' GLU . 44.5 m-20 -133.01 175.72 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.02 -178.57 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.87 -30.67 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -101.45 -61.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.6 p -77.46 -13.39 59.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt 44.02 50.37 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -112.61 154.74 25.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 7.2 t -51.39 120.46 5.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -106.85 42.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.45 -58.64 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.63 -60.02 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 75' ' ' CYS . 35.8 pt -50.88 170.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.49 -166.32 40.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 34.8 p90 -170.71 158.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -139.43 124.28 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 17.0 tt0 -86.21 121.52 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' LYS . 2.2 tp10 -145.94 139.46 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 34.5 42.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.93 52.34 29.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.55 133.87 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD22 ' HD2' ' A' ' 66' ' ' PHE . 64.5 mt -101.07 116.49 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.9 p -60.71 152.1 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -41.56 -38.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.05 -64.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.8 m -50.64 -53.27 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 83' ' ' PHE . 3.3 t80 -54.79 -60.54 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -48.41 -27.2 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -78.25 -61.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -69.56 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 33.2 m-85 -54.27 -69.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.82 77.94 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 p -85.81 129.29 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.809 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.77 -64.32 0.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -26.14 28.05 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.6 m -80.53 161.81 24.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.7 t -71.5 132.89 45.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.485 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t 45.99 42.25 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -105.38 148.09 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.13 108.47 2.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -154.3 164.28 38.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -141.29 125.85 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.11 82.45 0.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.28 115.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -132.11 137.73 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -118.26 19.57 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -139.95 137.62 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.1 mt -64.96 -37.14 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 60.6 t -34.03 118.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -102.77 -176.43 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -149.48 121.49 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.44 123.81 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.19 105.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.37 105.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.85 122.98 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.9 15.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -76.45 153.51 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.47 44.07 51.82 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -133.61 -55.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -150.95 145.99 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -117.3 65.97 4.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.51 0.671 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.72 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 mmt -118.86 125.09 48.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.9 t -53.76 141.29 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -89.03 20.61 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -133.03 -53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 p -98.27 -12.46 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.05 30.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -110.29 137.87 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -52.78 139.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.787 HG21 ' HB3' ' A' ' 39' ' ' PHE . 38.2 mt -103.13 129.04 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -97.25 -52.82 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 -158.76 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.75 135.9 31.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.395 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.787 ' HB3' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -130.49 176.41 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.79 127.3 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.94 118.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.8 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 52.64 25.83 3.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.8 34.59 62.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -158.08 171.5 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -113.72 145.04 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 4.2 m95 -135.23 165.51 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' HG12 ' A' ' 35' ' ' ILE . 4.1 m170 -90.02 133.96 32.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -107.94 -28.44 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 46.0 mt-10 -101.05 -38.73 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.98 95.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 4.3 p30 -136.69 166.28 23.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.21 174.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.48 -28.89 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -100.05 -58.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.6 p -80.72 -10.18 59.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt 43.0 48.48 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.56 151.79 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -44.68 127.96 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.408 ' HE1' ' HB2' ' A' ' 73' ' ' LEU . 41.4 mtm -117.0 39.61 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.4 -58.35 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -73.12 -45.04 59.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.1 pt -77.27 175.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -167.5 39.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CD1' HD22 ' A' ' 73' ' ' LEU . 6.2 p90 -170.16 150.18 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 12' ' ' LEU . 99.2 t -118.07 128.71 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.76 109.19 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -141.16 122.05 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 53.63 45.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.26 46.33 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.62 134.01 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 66' ' ' PHE . 70.3 mt -100.55 114.27 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -111.93 122.38 47.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.57 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -61.53 152.4 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -44.04 -38.23 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.78 -56.13 26.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.4 m -58.26 -58.59 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 7.8 t80 -53.09 -59.13 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -51.29 -18.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -91.14 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.04 -61.07 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 m-85 -57.93 -73.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.78 78.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -76.72 122.49 24.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.6 -111.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.89 2.51 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.42 121.55 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.2 m -120.54 93.0 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.516 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -115.24 177.58 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -135.74 148.79 48.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.36 -153.59 29.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -89.44 104.09 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -68.4 102.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.03 170.01 44.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -146.63 146.52 30.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -61.02 118.36 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -96.06 25.5 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 13' ' ' VAL . 18.9 m -139.18 141.98 37.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 67' ' ' VAL . 1.7 pt? -57.97 -19.59 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' THR . 25.5 t -59.51 135.54 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.39 178.41 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -145.54 123.96 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 152.26 39.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.23 112.94 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -62.87 123.11 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -114.62 124.08 31.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.48 34.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 161.3 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 -48.26 3.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -52.46 -40.4 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.303 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.9 mtt-85 -161.69 139.12 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.3 p -132.49 61.34 56.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 171.96 13.51 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.01 125.35 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -48.92 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.584 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -104.97 -46.02 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -72.31 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -77.64 -18.63 56.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.8 t30 56.93 44.84 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -122.36 138.32 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.24 131.86 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.882 HG21 ' HB3' ' A' ' 39' ' ' PHE . 14.2 mt -93.43 115.85 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -85.71 -46.98 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.21 -159.16 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 135.89 31.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.882 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.8 p90 -125.74 176.69 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -117.38 138.27 51.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.93 112.41 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -129.75 -75.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.5 mm? -79.88 72.57 6.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.73 42.25 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.584 ' HD3' ' HB2' ' A' ' 29' ' ' ALA . 21.0 mttm -162.89 171.1 17.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -109.99 134.89 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -130.69 141.2 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 3.9 m80 -67.43 137.06 93.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.23 -44.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -84.75 -42.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -41.58 92.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.3 p30 -137.3 167.01 22.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.48 178.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.06 -26.07 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -101.37 -61.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -77.58 -14.1 59.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 50.11 45.46 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -110.23 149.04 30.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 125.5 11.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG2' HD11 ' A' ' 64' ' ' ILE . 56.2 mtm -111.42 41.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.3 -45.87 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -92.28 -63.42 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 75' ' ' CYS . 24.9 pt -48.37 168.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.96 -164.97 38.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 3.6 p90 -170.76 162.83 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 12' ' ' LEU . 39.8 t -142.33 127.71 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.17 123.21 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' LYS . 3.8 tp10 -152.57 139.46 19.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 3.1 mmmp? 37.41 41.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.48 55.03 22.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.38 141.73 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -104.92 121.56 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.64 128.34 55.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.784 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.9 p -67.28 143.68 56.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 15.1 pt-20 -35.64 -41.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 72.6 mt -56.79 -55.54 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.11 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -55.11 -65.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -49.88 -34.65 20.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -61.83 -47.99 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -92.82 -60.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 26.4 m-85 -52.27 -59.89 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.82 80.88 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.9 m -80.51 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -50.46 -96.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -115.49 150.34 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -125.46 128.42 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.493 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -142.38 114.11 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -63.18 -50.32 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.3 -125.55 2.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -73.22 122.32 21.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -41.28 -51.53 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.85 43.7 3.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.32 93.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -122.18 110.99 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.95 34.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -131.76 136.18 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.8 mp -39.6 -37.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.6 t -33.3 123.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mt-30 -114.32 177.32 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -146.11 121.14 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -70.32 122.62 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.4 111.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.6 114.68 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.435 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.2 mm -106.63 129.43 24.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.38 34.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -77.29 174.62 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.6 47.57 23.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -56.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . 31.5 mtt180 -127.45 -35.52 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 59.1 p 44.88 47.93 4.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 25' ' ' THR . 53.6 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -89.15 131.19 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -55.05 165.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.22 -31.55 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -82.38 -68.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 p -73.93 -30.99 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 73.2 51.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -137.82 133.62 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' THR . 7.2 p -43.16 139.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 48' ' ' HIS . 4.5 mt -107.13 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -59.26 -58.73 7.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -70.84 -161.83 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.95 39.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.2 p90 -125.74 174.51 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -120.65 132.5 55.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.51 114.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.03 146.17 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.05 25.01 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.0 53.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -108.44 172.38 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.9 p -108.55 160.84 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -153.29 159.51 42.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.516 ' CD2' HG23 ' A' ' 35' ' ' ILE . 10.2 m80 -82.69 138.63 43.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.721 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.685 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.3 Cg_endo -69.78 -7.13 20.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.46 -21.81 11.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -98.5 -30.07 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.89 102.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -133.82 173.25 11.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.445 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 1.9 t -70.61 -179.95 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.35 -24.64 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -104.67 -61.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.51 -16.82 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm 49.27 45.94 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.45 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 t -73.86 116.06 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.488 ' HG2' HD11 ' A' ' 64' ' ' ILE . 44.2 mtm -106.74 43.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.03 -47.39 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.8 -51.53 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 75' ' ' CYS . 14.1 pt -61.08 174.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.26 -172.77 41.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 25.4 p90 -165.11 151.3 10.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.98 126.68 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -86.31 126.24 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -147.03 117.75 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 47.53 49.18 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.91 50.12 59.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.22 129.09 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.78 136.48 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.04 123.22 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.718 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -61.66 144.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.9 pt-20 -35.75 -40.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 73.4 mt -56.72 -61.98 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.5 m -53.79 -46.26 71.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 5.2 t80 -60.23 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.9 tp10 -51.03 -19.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -78.87 -54.24 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 84' ' ' ALA . 26.1 m-85 -96.51 -62.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 10.9 m-85 -43.24 -23.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -117.12 84.36 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -100.15 135.53 41.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.25 -75.23 1.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.34 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -43.58 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.6 t -60.31 122.68 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.452 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -46.93 117.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -86.38 -2.39 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.66 -111.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m 42.57 41.27 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -137.4 169.99 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.97 41.72 1.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.76 169.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.02 84.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.76 140.61 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' VAL . 8.4 m -130.02 145.25 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.808 HD12 ' N ' ' A' ' 13' ' ' VAL . 1.6 pp -35.58 -31.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.808 ' N ' HD12 ' A' ' 12' ' ' LEU . 73.4 t -35.12 119.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -108.7 173.3 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -139.69 138.25 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 130.42 35.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.17 110.04 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.58 122.18 14.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -114.96 121.79 34.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.12 17.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 151.98 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.71 -50.62 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -40.13 -50.09 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -162.32 149.11 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.9 p -124.44 67.52 47.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.73 163.92 36.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.06 123.15 33.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.05 160.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.55 -19.34 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -96.17 -62.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -81.03 -16.92 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.87 38.94 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -122.25 132.46 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -49.02 135.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.4 mt -94.07 105.79 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -87.75 30.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -162.05 -156.99 8.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.09 15.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.61 ' HB3' HG21 ' A' ' 35' ' ' ILE . 40.3 p90 -127.6 173.26 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -121.4 122.82 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.48 113.44 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.93 146.08 30.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.0 mm? 62.79 26.31 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.69 5.12 86.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -130.53 175.0 9.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.652 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 39.3 p -112.6 163.53 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.2 m95 -158.98 149.03 19.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 35' ' ' ILE . 7.1 m80 -70.94 137.16 84.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.6 Cg_endo -69.67 -7.63 21.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.15 -20.49 14.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 96.5 mt-10 -102.4 -39.8 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -46.57 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLU . 62.5 m-20 -134.14 150.95 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -48.35 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.96 -14.64 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -116.37 -59.04 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.6 p -83.08 -4.45 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 39.87 36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.42 164.73 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' THR . 9.5 t -60.71 121.79 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.7 mtm -112.48 36.85 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.51 -51.75 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -84.05 -46.51 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.5 pt -70.27 170.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -165.16 40.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -170.42 159.95 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.703 HG13 HD13 ' A' ' 12' ' ' LEU . 21.4 t -132.71 129.79 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -88.2 123.72 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -148.03 127.24 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.6 mttt 41.6 51.64 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.28 48.32 86.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.53 137.1 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -103.88 121.58 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -122.48 124.29 43.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.7 p -61.74 153.09 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 7.7 pt-20 -41.99 -39.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 19.2 mt -58.71 -63.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -49.5 -52.84 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.6 t80 -58.32 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.6 tt0 -52.53 -19.27 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -80.48 -48.7 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -90.51 -55.9 3.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 79' ' ' TYR . 17.4 m-85 -55.8 -59.69 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -84.04 87.69 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -94.96 -41.52 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.74 136.15 2.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 90.7 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.318 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.1 m -51.24 143.54 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -41.56 -55.24 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.543 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -149.68 144.09 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -95.32 137.17 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.55 -166.53 13.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -170.23 170.38 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -156.22 146.58 21.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.32 -58.88 5.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.34 168.14 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -131.94 173.82 10.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.72 169.42 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m -75.06 149.16 39.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HB3' HG13 ' A' ' 67' ' ' VAL . 8.4 mp -48.14 -29.01 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -37.41 122.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -119.51 172.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -135.76 122.36 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.75 135.91 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.47 114.36 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -67.1 105.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -96.32 123.71 53.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.6 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.27 150.28 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 76.09 -55.11 3.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 8.0 tptt -37.29 -37.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.6 mtt-85 -159.37 141.48 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -134.96 61.33 46.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.554 0.692 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 53.8 Cg_endo -69.77 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.588 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.53 121.63 45.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -47.54 165.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.61 -36.39 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -78.31 -67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -77.39 -29.51 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 67.45 49.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -127.4 139.92 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' HE3' ' A' ' 27' ' ' MET . 10.4 p -48.59 136.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.805 HG21 ' HB3' ' A' ' 39' ' ' PHE . 41.4 mt -104.71 122.2 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -90.66 -54.38 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.22 -157.45 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 145.76 58.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 35' ' ' ILE . 41.2 p90 -140.02 -177.08 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.52 120.49 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.77 111.1 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.41 149.06 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 61.34 25.03 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.4 -24.53 13.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -109.06 175.51 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 m -117.57 165.22 13.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 1.4 m95 -148.46 166.05 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -84.48 134.38 42.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.2 4.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -105.92 -30.98 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.36 -40.46 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -41.51 105.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.78 157.48 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.95 178.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.24 -25.86 13.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -106.77 -61.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LYS . 22.4 p -79.33 -2.75 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.9 mmtm 36.86 47.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.2 161.62 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 60' ' ' THR . 1.3 t -59.86 121.38 11.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.8 mtm -107.23 39.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.53 -51.74 5.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -85.63 -64.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.3 pt -50.27 170.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.11 -166.95 43.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 6.4 p90 -168.84 158.54 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 12' ' ' LEU . 83.7 t -135.08 127.45 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.14 130.29 34.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -152.93 124.21 7.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 48.14 43.48 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.04 51.88 46.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.96 134.71 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.81 137.12 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -139.17 122.27 16.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.739 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.2 p -58.55 156.18 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.6 pt-20 -44.45 -37.61 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mt -60.71 -60.96 2.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 65.3 m -55.16 -48.28 73.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.74 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 17.9 t80 -55.46 -63.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.35 -35.14 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -63.58 -48.35 77.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.93 -61.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.74 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 19.7 m-85 -54.2 -66.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 49.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -99.92 159.03 15.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.6 146.87 49.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 145.87 58.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m 54.4 44.39 28.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -81.28 113.94 19.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -149.49 170.93 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -118.88 140.6 49.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.04 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -162.83 134.34 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -152.6 150.57 29.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.67 -114.11 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -152.59 117.01 4.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.1 87.14 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.04 22.75 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -155.05 150.06 26.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 12.5 tp -55.37 -32.79 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 t -36.79 138.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -123.44 168.79 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -137.56 132.22 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.62 119.25 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -58.05 120.75 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 3.4 m-70 -71.2 104.76 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.73 124.83 53.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.67 9.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -74.67 147.41 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 85.12 -54.55 4.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' GLY . 22.1 tptp -36.63 -39.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.7 mtt180 -167.95 144.16 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -134.96 62.54 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.494 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 176.51 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ttm -91.53 127.84 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' ' 30' ' ' HIS . 4.5 t -46.09 172.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 -40.28 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 2.7 p-80 -85.34 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 15.5 p -69.96 -22.02 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 60.28 42.26 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -121.04 140.29 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 116.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 48' ' ' HIS . 9.5 mt -74.61 111.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -90.07 51.69 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.55 -153.74 19.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.7 132.65 23.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -133.04 178.11 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.91 118.86 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.52 164.19 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' OE1' ' A' ' 68' ' ' GLU . 1.9 mm? 48.9 25.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.54 45.04 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -174.65 168.5 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.8 p -103.77 153.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' SER . 4.7 m95 -147.51 151.91 37.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.493 ' CE1' HG12 ' A' ' 35' ' ' ILE . 3.5 m80 -76.88 135.83 67.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.531 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 2.58 3.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -106.76 -38.9 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 30' ' ' HIS . 27.3 mt-10 -86.97 -43.04 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.93 99.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.18 166.43 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.32 174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.06 -25.09 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -102.96 -60.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.88 -10.34 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 42.16 51.23 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -112.51 153.23 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -50.36 116.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.0 mtm -104.31 43.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 -46.56 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -87.94 -45.0 10.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 75' ' ' CYS . 41.4 pt -74.7 170.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.34 -174.51 50.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -160.87 158.69 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 79' ' ' TYR . 61.7 t -134.27 128.11 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 43' ' ' LEU . 25.4 tt0 -88.21 121.24 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -147.3 117.97 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 51.78 45.27 28.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.36 49.18 67.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.85 122.5 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.73 118.42 30.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' VAL . 79.2 m-85 -117.6 130.39 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.562 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.8 p -65.4 157.6 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.0 -35.46 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.77 -50.81 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 t80 -52.75 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 34.5 tt0 -50.19 -35.74 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -63.62 -50.83 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -86.45 -62.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 24.8 m-85 -55.2 -65.4 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -81.49 49.85 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.2 p -88.45 161.91 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.61 146.42 47.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -132.8 166.56 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.0 p -85.56 176.73 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.429 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -144.27 157.18 44.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -149.23 158.76 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 172.65 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -125.39 110.3 13.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 m -97.77 170.15 9.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.77 172.07 55.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.79 -25.79 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.74 167.28 16.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -111.66 22.83 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 m -136.54 146.58 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.74 ' H ' HD12 ' A' ' 12' ' ' LEU . 5.2 mp -37.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 76.3 t -34.22 117.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -111.57 175.81 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -144.41 123.15 12.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.55 126.79 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.17 107.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.01 107.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.562 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.5 mm -97.02 122.62 55.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.575 0.702 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 145.7 54.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.79 -40.75 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -42.66 -68.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.3 158.47 44.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -127.21 58.49 30.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 160.18 50.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.98 130.1 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -49.15 166.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -100.37 -32.93 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -84.42 -71.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -74.43 -22.29 59.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.0 t30 60.66 51.23 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -123.19 133.6 54.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.02 133.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.2 mt -103.6 129.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -96.27 -53.26 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.56 -156.16 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.26 64.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.7 p90 -144.13 177.08 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 119.79 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -100.71 111.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.58 150.05 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 61.62 38.32 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.9 40.08 98.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.8 pttm -172.08 171.04 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m -120.88 147.14 45.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 45' ' ' LYS . 1.2 m95 -131.52 166.21 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.493 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 2.6 m80 -81.74 129.18 66.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 5.09 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.35 -31.43 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -102.02 -38.19 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.95 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -138.38 172.25 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 5.3 t -67.25 171.67 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.89 -14.05 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -114.05 -45.68 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -104.26 -3.14 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 3.2 mptt 44.13 41.98 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.94 148.52 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -46.35 111.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.0 mtm -100.54 39.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.39 -63.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -77.7 -54.45 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 75' ' ' CYS . 11.5 pt -56.63 169.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.55 -173.51 49.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -165.92 151.03 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.56 127.62 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -86.2 125.57 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -158.89 126.24 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 50.5 46.83 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.21 54.06 40.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.1 134.96 3.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.3 122.38 44.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -113.33 128.59 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.764 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -66.46 140.45 58.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' CYS . 16.9 pt-20 -34.12 -38.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' CYS . 27.1 mt -58.97 -57.71 11.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -55.29 -59.44 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 2.2 t80 -52.75 -51.61 59.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.4 -24.13 63.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -86.85 -31.24 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -98.13 -61.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 6.7 m-85 -59.11 -74.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.95 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 t -68.31 149.24 49.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.26 119.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.308 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.0 p -77.7 -44.98 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.0 m -85.73 40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.496 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -95.06 -49.11 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 50.15 42.6 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.36 -158.98 11.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -143.5 137.1 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.8 p -156.82 130.05 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.44 140.88 5.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -94.93 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -104.27 151.07 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -149.16 166.53 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.85 HG22 HD23 ' A' ' 12' ' ' LEU . 4.5 m -66.39 142.56 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.85 HD23 HG22 ' A' ' 11' ' ' THR . 2.0 pt? -40.21 -29.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 67' ' ' VAL . 78.1 t -40.49 119.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -87.5 -178.94 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -153.66 145.04 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -98.58 125.87 43.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.02 121.34 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -70.4 116.29 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 23' ' ' LYS . 30.5 mm -103.14 130.91 22.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.72 29.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.12 153.27 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.77 -48.18 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HD2' HG23 ' A' ' 19' ' ' ILE . 9.1 tmtt? -47.78 -41.94 24.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -150.13 137.15 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -135.06 58.82 29.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.77 2.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -49.64 171.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.69 -44.96 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -72.69 -63.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -81.45 -25.45 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.2 t30 61.54 46.09 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -124.53 141.38 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.8 127.68 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.828 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.6 mt -95.63 103.23 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm105 -75.82 -37.38 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.41 -168.96 43.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.89 11.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.828 ' HB3' HG21 ' A' ' 35' ' ' ILE . 52.8 p90 -109.09 178.72 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 49' ' ' PRO . 5.8 mt -120.68 121.5 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -105.63 113.22 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -129.77 -69.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.8 mm? -87.45 74.48 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 36.66 28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' LEU . 47.1 mtmt -150.48 168.98 22.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 95.9 p -110.79 128.86 55.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.8 m95 -124.63 141.56 52.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.2 m80 -63.61 138.94 97.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.74 -4.02 13.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.12 -39.44 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ASN . 82.9 mt-10 -83.44 -44.27 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -44.17 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLU . 70.5 m-20 -135.3 163.9 28.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.35 176.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.07 -27.52 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -101.84 -60.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.0 p -80.98 -6.9 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp 38.5 48.66 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -111.62 158.17 19.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -53.95 123.88 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.8 mtm -112.61 42.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.81 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -68.6 -62.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 75' ' ' CYS . 2.2 pp -61.59 168.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 64' ' ' ILE . . . -100.33 172.75 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 73' ' ' LEU . 34.5 p90 -141.53 177.78 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 13' ' ' VAL . 46.3 t -138.02 128.0 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -86.72 122.01 30.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.82 112.77 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 41.12 39.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.28 46.24 5.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 74' ' ' TYR . . . -153.32 122.63 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.582 HD22 ' CD1' ' A' ' 66' ' ' PHE . 55.2 mt -98.03 122.01 40.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 77.8 m-85 -126.31 127.41 45.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD13 ' A' ' 64' ' ' ILE . 28.2 p -61.21 147.46 44.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.94 -25.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.53 -51.68 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.41 -51.34 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 25.4 t80 -49.53 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 28.7 tt0 -51.44 -30.71 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -71.29 -45.16 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -92.8 -62.27 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 9.7 m-85 -55.6 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -78.98 54.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -115.2 156.8 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.03 -95.27 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 88.45 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.6 t -148.87 137.36 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.4 m -90.34 83.44 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.505 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -89.07 156.8 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -112.89 150.35 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.44 120.66 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -82.4 95.43 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -147.9 177.74 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.31 -51.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -123.91 43.88 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -112.61 86.35 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -159.66 135.59 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -121.32 142.47 49.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' VAL . 23.3 tp -46.39 -35.85 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' LEU . 48.0 t -34.71 124.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.586 ' HG3' ' CD1' ' A' ' 66' ' ' PHE . 1.4 pt20 -113.99 153.04 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 162.51 22.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.21 144.55 31.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.56 112.57 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -59.16 123.95 18.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.622 HG21 ' CE2' ' A' ' 39' ' ' PHE . 47.0 mm -117.15 123.96 29.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 174.36 9.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 155.48 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 77.07 -50.04 3.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' GLY . 32.6 tttt -34.03 -48.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 25' ' ' THR . 32.9 ttm-85 -164.91 147.17 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 72.9 p -122.49 70.52 35.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.82 -177.68 2.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -104.06 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.36 171.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.3 -46.16 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -74.74 -63.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -79.56 -19.38 49.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.36 48.97 21.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -123.46 137.53 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.0 p -45.86 122.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.4 mt -92.09 117.97 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -85.29 -55.23 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.04 6.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 137.45 35.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.748 ' HB3' HG21 ' A' ' 35' ' ' ILE . 32.7 p90 -127.67 175.9 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 49' ' ' PRO . 8.6 mt -118.63 156.64 28.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.13 113.69 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -134.79 -62.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.0 mm? -87.68 75.11 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 30.86 38.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' LEU . 24.3 mtmm -158.66 174.83 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -113.27 128.5 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -126.69 136.42 52.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.7 m80 -62.61 141.11 96.95 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.71 -12.15 32.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.49 -35.01 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASN . 68.7 mt-10 -84.23 -46.16 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 90.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . 47.3 m-80 -131.36 145.18 51.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.507 ' N ' ' SD ' ' A' ' 61' ' ' MET . 12.3 t -46.88 168.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.46 -14.87 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -108.25 -51.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.75 -6.61 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER 45.49 53.51 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -117.47 142.39 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 60' ' ' THR . 8.8 t -49.99 123.95 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -108.39 39.06 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.07 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -92.56 -44.54 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.684 HD12 ' HB2' ' A' ' 75' ' ' CYS . 17.3 pt -73.62 173.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.32 -170.15 40.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.491 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' ' HG3' ' A' ' 14' ' ' GLN . 6.4 p90 -166.63 169.17 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 79' ' ' TYR . 95.3 t -140.53 123.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD23 ' A' ' 73' ' ' LEU . 28.6 tt0 -86.35 127.11 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -155.46 123.73 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttm 52.9 35.8 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.4 43.76 44.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.03 128.48 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 68' ' ' GLU . 80.7 mt -97.02 122.94 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -116.34 127.18 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.684 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.8 p -64.24 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 75' ' ' CYS . 15.5 pt-20 -32.83 -41.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.4 mp -55.96 -58.89 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.96 -46.3 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 4.3 t80 -59.27 -67.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -50.83 -28.53 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -66.68 -53.64 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -87.72 -60.3 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 31.3 m-85 -51.76 -59.64 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.26 44.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t -83.27 117.79 23.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.78 75.37 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 151.81 68.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.303 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.2 p -90.46 88.0 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.8 m -104.04 122.35 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -144.44 127.54 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -117.29 168.89 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.83 99.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -115.96 97.79 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -168.67 141.59 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.27 -80.88 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -131.22 86.39 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.08 95.51 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.66 20.89 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -142.99 152.0 41.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.02 HD11 HG13 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -81.44 -29.23 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' LEU . 54.0 t -30.66 117.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 68.3 mt-30 -97.41 175.06 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -144.17 121.11 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . . . -68.77 124.25 23.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.11 123.89 21.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.29 119.8 15.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.528 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 48.3 mm -113.22 124.41 31.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.55 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 161.05 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.68 -46.87 2.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -171.67 146.72 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' ILE . 53.1 p -118.92 72.37 11.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.557 0.694 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.77 176.48 6.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.45 117.63 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.57 168.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . . . -106.02 -42.49 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.77 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.2 p -81.42 -27.15 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 62.83 46.92 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -125.2 135.04 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 5.9 p -43.39 140.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 39' ' ' PHE . 5.6 mt -108.8 113.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -80.56 -47.74 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.27 -158.7 21.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.28 30.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 26' ' ' PRO . 47.3 p90 -122.21 171.7 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 49' ' ' PRO . 9.0 mt -115.75 159.06 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -147.04 116.21 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.648 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -132.59 -66.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 66' ' ' PHE . 3.7 mm? -87.36 74.05 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.73 33.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LEU . 26.0 mttm -152.73 171.47 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.3 p -109.16 138.94 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' A' ' 29' ' ' ALA . 3.2 m95 -139.54 132.01 28.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.4 m80 -53.92 142.24 45.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.733 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.78 -19.72 35.67 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -94.33 -37.58 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.8 tt0 -77.76 -47.19 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -47.48 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' GLU . 64.0 m-20 -127.95 178.06 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.35 175.3 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.91 -29.65 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -100.65 -61.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.11 -7.85 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 39.24 49.7 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -107.51 160.84 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 t -56.0 114.86 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 39.9 mtm -102.84 41.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.38 -54.54 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -80.85 -59.04 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.744 HD12 ' HB2' ' A' ' 75' ' ' CYS . 42.2 pt -58.86 171.06 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.52 -165.21 40.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.648 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 18.4 p90 -164.86 169.41 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.02 HG13 HD11 ' A' ' 12' ' ' LEU . 58.5 t -140.64 128.8 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -85.55 127.81 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -151.95 121.92 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt 42.8 40.6 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.64 48.25 18.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.75 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 66' ' ' PHE . 92.3 mt -102.8 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -108.25 128.1 54.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.744 ' HB2' HD12 ' A' ' 64' ' ' ILE . 30.0 p -61.36 140.89 57.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' CYS . 9.0 pt-20 -35.83 -37.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.98 -56.31 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 56.6 m -56.61 -58.38 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 12.9 t80 -48.02 -62.63 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 11.9 tt0 -52.41 -38.76 59.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' CYS . 13.8 mtmt -58.79 -38.61 78.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -100.72 -63.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.4 m-85 -50.36 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -45.65 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ALA . 48.2 t -37.63 -42.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.53 131.76 51.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -29.2 24.11 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -145.19 161.61 39.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 m -131.74 148.86 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m 46.28 42.12 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -89.8 176.46 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.9 63.82 0.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -123.81 84.25 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -114.32 -47.6 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.1 105.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -73.89 166.09 23.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -46.0 167.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.29 25.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 13' ' ' VAL . 24.6 m -136.05 151.37 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 43.5 tp -72.24 -39.34 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.505 ' H ' HG22 ' A' ' 11' ' ' THR . 74.4 t -33.34 122.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -102.77 -179.28 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -147.1 132.61 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.84 144.11 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -87.05 112.32 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.07 116.76 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.49 121.63 42.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.84 15.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.62 164.99 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 23' ' ' LYS . . . 69.8 20.74 76.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -114.01 -63.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.321 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -143.61 142.82 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 p -115.76 68.49 3.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG2' HD12 ' A' ' 35' ' ' ILE . 53.5 Cg_endo -69.78 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -112.58 118.23 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.1 170.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.25 -48.4 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -74.07 -60.68 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.92 -24.42 41.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 56.19 47.4 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -122.76 136.63 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.6 p -45.39 134.38 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.865 HG21 ' HB3' ' A' ' 39' ' ' PHE . 25.6 mt -102.15 126.14 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -98.53 -49.35 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -157.34 12.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.63 28.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.865 ' HB3' HG21 ' A' ' 35' ' ' ILE . 19.6 p90 -128.48 167.57 16.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.48 152.92 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.3 113.25 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.95 -63.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -89.11 74.16 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.1 34.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.448 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LEU . 32.1 mtmt -153.22 171.26 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -110.17 132.42 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -129.04 136.63 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.498 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 4.8 m80 -64.6 137.62 97.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 8.5 pt-20 -101.27 -48.3 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 pt-20 -81.85 -42.48 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -42.84 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.8 p30 -138.9 174.11 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' MET . 2.0 t -67.57 179.24 1.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 -31.06 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -100.23 -59.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 p -78.94 -10.25 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 40.33 46.52 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -106.15 156.09 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -49.43 114.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' CYS . 29.3 mtm -104.3 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.57 -53.52 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 75' ' ' CYS . 45.5 pt -58.89 171.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.87 -166.23 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.651 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 26.3 p90 -167.3 160.5 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 13' ' ' VAL . 85.9 t -138.52 124.08 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.77 115.72 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -138.1 124.87 21.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.11 46.57 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.74 57.11 10.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -167.42 127.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -94.59 123.13 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' VAL . 83.9 m-85 -120.81 129.18 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.681 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.6 p -66.19 148.95 51.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' CYS . 11.4 pt-20 -38.24 -39.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.39 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.2 m -55.41 -54.64 41.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.789 ' CD2' ' CD2' ' A' ' 83' ' ' PHE . 11.0 t80 -49.27 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -46.57 -48.5 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -46.12 -50.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -91.01 -63.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.789 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 22.5 m-85 -47.89 -59.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.7 50.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 126.77 24.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -138.18 -74.44 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.28 4.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 t -108.97 168.81 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -139.8 171.48 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.544 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -128.97 129.98 46.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -153.73 143.54 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.26 148.55 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -120.22 168.91 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 41.7 t -112.66 97.4 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.78 85.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.71 126.7 27.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -132.23 129.07 39.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -120.07 173.11 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.647 HG23 ' H ' ' A' ' 13' ' ' VAL . 10.0 t -140.17 -175.59 4.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.5 mm? -54.5 -39.4 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.647 ' H ' HG23 ' A' ' 11' ' ' THR . 69.4 t -33.72 114.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 6.0 pt20 -127.88 161.44 29.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -125.17 145.03 50.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.95 134.87 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 9.8 tp10 -68.14 119.0 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -74.01 105.05 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 20' ' ' PRO . 17.0 mm -94.34 133.52 27.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 19' ' ' ILE . 53.3 Cg_endo -69.88 166.15 28.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -81.84 148.74 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.47 33.23 23.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.1 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 32.9 mtt180 -120.4 -46.56 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 62.2 p 50.49 50.58 9.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 25' ' ' THR . 54.2 Cg_endo -69.76 168.31 21.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -84.39 129.36 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.64 168.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.23 -33.81 9.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -82.78 -65.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -76.49 -26.15 54.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.44 53.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -136.13 137.07 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.6 136.23 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 48' ' ' HIS . 5.8 mt -103.07 94.28 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -54.24 -63.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -66.85 -161.57 1.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.417 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.8 26.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.436 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 50.6 p90 -111.08 175.49 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 ' HA ' ' A' ' 49' ' ' PRO . 7.3 mt -120.9 125.03 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.3 p -102.37 114.81 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -154.47 149.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 55.8 40.82 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.73 41.81 90.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -168.23 157.89 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.7 p -98.99 155.97 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.4 m95 -149.29 161.69 41.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 35' ' ' ILE . 6.5 m80 -81.33 137.53 48.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.757 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.76 -8.11 22.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.18 -27.28 9.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -92.64 -38.65 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.23 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.69 177.41 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.0 t -77.47 174.69 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.85 -24.57 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -109.86 -52.52 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.5 p -97.81 11.55 36.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 22.17 50.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.0 p-10 -103.17 159.81 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 60' ' ' THR . 4.1 t -53.66 118.18 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -109.74 41.37 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.35 -56.32 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -83.58 -45.13 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 ' HB2' ' A' ' 75' ' ' CYS . 9.8 pt -69.33 172.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.26 -176.38 43.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 3.3 p90 -162.3 161.9 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.66 HG21 ' CD2' ' A' ' 79' ' ' TYR . 86.2 t -134.94 126.58 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.84 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -149.38 106.47 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm 56.29 39.65 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.45 45.52 11.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.45 125.87 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -100.4 116.71 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.75 125.6 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.601 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.9 p -59.58 154.74 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.7 pt-20 -45.05 -36.26 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 17.9 mt -62.16 -53.59 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.77 -40.35 94.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.66 ' CD2' HG21 ' A' ' 67' ' ' VAL . 4.4 t80 -63.05 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 84' ' ' ALA . 30.8 tp10 -49.59 -18.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -79.51 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -99.09 -57.49 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 12.5 m-85 -44.75 -63.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' GLU . . . -50.7 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.3 p -37.56 135.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.31 151.16 37.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.21 57.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.211 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.2 p 39.29 43.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.4 t -53.91 -49.79 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.433 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -92.56 128.04 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -153.22 131.86 12.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.01 -62.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -72.2 130.69 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -145.51 125.99 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.84 170.59 34.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.33 92.29 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -104.75 137.71 42.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -124.21 19.9 9.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -113.68 154.92 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.4 mm? -67.89 -36.04 79.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 79.5 t -34.19 124.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 84.5 mt-30 -111.74 -174.87 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -149.35 122.66 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.72 123.07 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -67.3 116.35 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -68.4 107.67 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -94.93 125.16 51.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.57 27.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.333 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 150.54 44.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.1 -51.81 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -38.73 -60.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.33 153.82 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -131.59 66.79 79.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.69 155.69 65.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 tpt -76.35 122.48 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.77 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.13 -37.41 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -76.94 -66.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.2 -17.57 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 61.76 34.02 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -112.18 142.84 44.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.51 125.98 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.893 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.8 mt -89.24 115.01 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -83.51 -53.13 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.07 -154.07 6.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.19 37.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.893 ' HB3' HG21 ' A' ' 35' ' ' ILE . 35.8 p90 -130.27 172.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.2 mt -117.63 125.34 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.87 111.94 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.87 23.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.6 mm? 42.35 35.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.22 39.1 97.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -164.1 175.05 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 25.8 p -112.74 159.37 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.7 m95 -154.67 159.88 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -83.86 135.45 42.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.79 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -106.67 -25.41 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -99.85 -39.75 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -44.66 97.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -128.88 173.8 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.3 t -77.65 172.53 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.72 -23.43 18.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -111.85 -54.74 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.9 p -94.16 10.33 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 21.47 53.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.5 p-10 -106.0 161.16 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -59.6 112.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -102.94 38.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.13 -52.07 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -82.1 -50.47 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 75' ' ' CYS . 47.6 pt -68.99 175.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.65 -168.5 44.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 14.5 p90 -171.0 156.97 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.5 t -135.1 130.76 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -91.22 122.9 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -152.68 122.56 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt 59.11 44.25 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.47 53.33 46.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.86 142.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.6 123.69 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -119.8 126.56 51.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.621 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.4 p -62.1 146.24 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -39.32 -36.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 17.0 mt -60.94 -53.58 55.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.59 -51.45 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 83' ' ' PHE . 10.8 t80 -49.47 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.587 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 55.2 tt0 -52.83 -33.23 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -64.91 -47.02 79.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.42 -62.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' TYR . 11.4 m-85 -56.69 -63.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -76.86 69.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 p -168.06 128.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.69 -154.84 7.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 88' ' ' SER . 53.9 Cg_endo -69.75 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 87' ' ' PRO . 40.2 t -33.49 -46.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.9 t -143.35 161.8 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.475 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -103.47 165.16 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -108.43 167.3 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.63 94.91 1.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -95.93 101.38 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -145.2 162.2 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.72 -166.28 28.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.91 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -142.13 160.41 40.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -126.41 121.59 32.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -86.51 151.82 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' VAL . 16.0 mt -76.24 -37.0 58.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.3 t -33.83 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 51.5 mt-30 -108.64 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -146.6 110.03 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.94 126.74 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.3 tp10 -70.35 120.4 15.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.72 124.81 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 39' ' ' PHE . 31.0 mm -111.12 123.28 35.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.08 22.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.15 29.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.97 73.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -127.69 -57.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.8 mtt-85 -140.61 140.1 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -132.95 61.73 57.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttm -91.03 116.75 29.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -45.63 169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . . . -108.18 -41.77 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.62 -63.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 p -82.72 -29.57 29.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.7 t30 69.59 42.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -120.45 133.25 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.36 125.06 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.846 HG21 ' HB3' ' A' ' 39' ' ' PHE . 40.5 mt -89.04 124.62 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -91.93 -54.75 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 -157.81 10.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.52 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.4 p90 -126.11 179.64 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 49' ' ' PRO . 3.1 mt -121.35 120.65 35.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.2 p -97.32 115.93 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 155.54 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? 50.95 40.05 24.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.04 38.58 89.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.534 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 29' ' ' ALA . 29.0 mtmt -160.59 164.16 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 p -107.36 136.58 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.2 m95 -129.44 165.45 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.6 m80 -88.39 140.34 30.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.82 -3.71 12.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.91 -34.54 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.4 pt-20 -84.74 -43.05 14.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 4.5 t80 -47.05 93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -129.36 141.1 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.6 t -45.08 165.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.64 -16.89 25.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -108.84 -65.76 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.58 -17.3 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 55.75 51.15 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.18 156.58 33.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -61.07 125.94 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.505 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 1.1 mpp? -106.9 45.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.31 -53.03 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' O ' HG23 ' A' ' 64' ' ' ILE . 5.0 m-85 -98.6 43.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' TYR . 5.9 pt -160.71 -179.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.92 -178.05 37.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 9.9 p90 -168.04 156.92 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.36 129.02 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 26.5 tt0 -87.53 134.0 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' CE2' ' A' ' 83' ' ' PHE . 19.7 tt0 -159.51 129.88 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? 38.6 44.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.62 52.52 33.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.36 131.48 5.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.29 118.8 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -111.24 125.43 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' LEU . 29.4 p -66.29 140.39 58.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.9 pt-20 -34.61 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 29.2 mt -61.72 -54.4 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.83 -41.7 98.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 11.6 t80 -61.11 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 15.3 tp10 -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -73.67 -60.48 2.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.53 -60.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 17.0 m-85 -44.82 -34.51 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -109.09 86.02 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.5 m -73.71 122.64 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.91 -152.65 13.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.52 5.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 m -68.67 158.22 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -70.3 135.77 49.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.458 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -127.06 122.76 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -149.85 121.71 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.68 79.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -106.5 86.04 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -173.21 116.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.23 105.93 2.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.49 -24.79 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -141.57 173.62 11.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.57 119.26 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' LEU . 6.4 m -106.68 152.36 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.945 HD12 HG13 ' A' ' 67' ' ' VAL . 0.7 OUTLIER -35.94 -36.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' LEU . 97.8 t -33.62 125.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.42 162.93 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -128.31 115.76 18.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 125.91 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.45 120.87 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -74.47 110.39 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 39' ' ' PHE . 49.2 mm -99.33 127.53 34.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 177.44 5.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.614 2.209 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -81.68 147.13 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.64 -48.14 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -42.46 -48.72 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.299 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.5 mtt-85 -157.83 141.72 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.6 p -132.65 61.89 59.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.83 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.63 126.55 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.12 170.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -101.53 -34.55 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -83.4 -70.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -73.89 -22.32 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 60.49 42.94 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.27 137.65 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -41.05 140.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.899 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.0 mt -101.26 97.99 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.34 37.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -175.12 -159.91 22.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 125.9 12.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.396 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.6 p90 -121.34 174.84 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 49' ' ' PRO . 1.1 mt -118.67 119.75 35.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -152.82 162.53 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.3 mm? 48.65 34.51 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.72 95.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -162.37 164.96 27.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.625 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.3 p -104.41 154.97 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.9 m95 -151.44 165.31 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 35' ' ' ILE . 10.0 m170 -87.2 138.85 32.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.723 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.79 -11.78 31.49 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.54 -21.67 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -97.63 -43.76 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -45.49 97.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -132.95 162.86 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 1.8 t -63.1 177.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.42 -29.57 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -104.37 -58.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 54' ' ' CYS . 16.4 p -78.38 -11.85 59.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 40.58 49.61 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -113.72 149.13 35.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 60' ' ' THR . 9.1 t -46.4 117.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.8 mtm -106.77 39.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.01 -43.06 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.55 -45.71 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.724 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.6 pt -85.18 177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.3 -164.75 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -166.63 158.2 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.945 HG13 HD12 ' A' ' 12' ' ' LEU . 89.6 t -128.01 130.28 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.94 132.67 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -160.61 123.14 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp 50.09 44.23 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.2 43.82 98.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.87 125.71 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.7 mt -92.29 123.88 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.01 125.51 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.724 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.4 p -57.62 163.92 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 77' ' ' LEU . 3.6 pm0 -51.73 -33.75 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.7 mt -64.5 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.427 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 64.1 m -46.94 -47.6 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.663 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 9.5 t80 -55.62 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -52.33 -37.81 56.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -55.98 -43.8 77.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 34.8 m-85 -100.05 -62.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.663 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 33.5 m-85 -48.24 -59.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.0 54.9 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -146.07 132.45 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.09 114.54 3.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.27 28.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.2 m -56.76 164.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -111.24 -50.32 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.519 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 67' ' ' VAL . 7.2 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' LEU . 53.6 t -33.56 107.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 8.1 pt20 -96.36 175.52 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -135.88 166.53 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.27 138.87 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.39 110.41 16.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -67.92 109.52 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.46 128.62 37.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.637 0.732 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.37 24.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 149.01 43.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.62 -43.77 3.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -41.77 -62.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -148.82 151.75 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -125.94 66.65 59.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.73 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.756 2.304 . . . . 0.0 112.306 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 121.75 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -47.67 170.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.91 -39.8 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -76.8 -65.72 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -79.06 -26.0 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.23 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -127.27 140.58 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.95 131.05 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.9 mt -97.9 122.5 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -88.33 -46.47 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.48 30.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.21 32.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HB3' HG21 ' A' ' 35' ' ' ILE . 11.0 p90 -126.73 172.35 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.99 124.23 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.24 115.55 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.94 156.93 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.8 27.24 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.29 34.58 69.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -162.47 168.86 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.624 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 47.9 p -106.6 157.66 17.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.0 m95 -150.99 163.97 37.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -88.66 135.13 32.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.536 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.68 0.94 4.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -106.45 -28.52 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 47.9 mt-10 -97.98 -40.69 8.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 59.1 m-20 -135.89 160.94 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.77 171.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.45 -23.65 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 2.6 t-160 -107.39 -59.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 21.6 p -83.46 -1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' CYS . 16.1 mmmt 34.39 50.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -109.62 164.47 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 60' ' ' THR . 10.1 t -61.78 117.04 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.6 mtm -105.7 39.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.61 -56.08 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -78.95 -57.26 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 75' ' ' CYS . 39.0 pt -61.81 172.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.58 -168.21 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 2.2 p90 -167.55 154.37 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 12' ' ' LEU . 97.3 t -128.52 129.92 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.82 141.57 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -157.37 105.75 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 53.28 42.52 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.32 50.21 8.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.85 124.32 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.29 121.67 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.05 122.49 42.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.615 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -62.58 148.9 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' CYS . 4.7 pt-20 -38.0 -41.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.67 -60.42 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 56.7 m -54.49 -49.79 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.684 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -54.94 -64.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.85 -23.64 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.83 -48.37 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 46.3 m-85 -88.12 -56.67 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 19.6 m-85 -57.65 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB3' HG13 ' A' ' 67' ' ' VAL . 10.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 ' CG1' ' HA3' ' A' ' 65' ' ' GLY . 69.7 t -34.57 113.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.29 -179.57 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm105 -139.42 117.79 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.97 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB3' HG13 ' A' ' 41' ' ' VAL . 7.7 tt0 -61.66 108.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -67.84 106.3 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -97.57 124.98 46.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.084 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 173.32 11.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.39 34.08 79.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -126.42 -66.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -137.09 141.87 42.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -116.63 61.58 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 168.33 21.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.672 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -97.34 118.71 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -44.75 166.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.63 -31.57 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.76 -69.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 p -76.89 -26.66 54.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.2 t30 63.84 49.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -124.7 135.51 53.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HE3' ' A' ' 27' ' ' MET . 14.1 p -46.2 131.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 39' ' ' PHE . 11.2 mt -101.85 129.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -99.98 -53.4 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.54 -156.81 5.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.13 39.6 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.672 ' HB3' HG21 ' A' ' 35' ' ' ILE . 46.2 p90 -131.94 174.63 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -120.28 122.51 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -101.27 113.04 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.76 166.33 28.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 68' ' ' GLU . 4.1 mm? 46.64 31.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.01 35.82 91.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -160.46 170.78 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -110.13 146.03 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 1.4 m95 -140.77 163.46 32.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.0 m80 -85.99 138.28 35.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.535 0.683 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.84 -6.57 18.96 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.31 -28.14 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -92.99 -41.75 9.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -45.24 106.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -147.5 150.06 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.41 174.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.79 -17.22 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -105.06 -63.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.3 p -79.25 -16.01 57.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 53.14 46.75 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -111.62 161.85 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' THR . 5.2 t -54.7 120.52 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 64' ' ' ILE . 32.0 mtm -108.14 41.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.7 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.78 36.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -150.39 177.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -107.71 145.13 16.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -127.94 165.65 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 12' ' ' LEU . 58.5 t -131.71 136.01 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 43' ' ' LEU . 20.1 tt0 -88.85 124.55 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -154.56 119.45 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 54.98 48.84 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.23 37.62 81.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.33 131.99 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -96.33 124.58 40.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -120.8 130.81 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.4 p -67.79 152.27 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 8.9 pt-20 -43.58 -39.01 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 10.0 mt -57.68 -54.34 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -61.16 -57.58 11.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.749 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 9.4 t80 -52.33 -57.21 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.4 tt0 -54.07 -20.79 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -87.23 -46.75 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -84.17 -61.89 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 13.4 m-85 -54.6 -69.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' CG1' ' A' ' 67' ' ' VAL . 1.7 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.719 ' N ' HD12 ' A' ' 12' ' ' LEU . 93.3 t -35.82 120.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.78 176.35 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -148.95 138.83 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.99 132.14 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.17 119.3 19.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.36 105.35 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.437 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 29.7 mm -92.69 126.05 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.31 35.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.6 154.87 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 81.22 -47.57 3.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 12.8 tppt? -37.06 -56.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -152.26 152.3 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.5 p -125.31 65.55 50.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 mmt -112.48 123.97 51.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 t -49.91 131.95 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . . . -84.42 19.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -129.66 -45.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.91 -7.13 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.7 t30 57.51 32.93 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -104.71 136.93 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.82 119.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 39' ' ' PHE . 28.5 mt -87.84 122.12 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.95 -54.34 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.31 -161.14 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.89 24.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.856 ' HB3' HG21 ' A' ' 35' ' ' ILE . 8.0 p90 -125.94 172.85 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.85 132.95 56.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.18 115.3 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.28 165.02 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 42.83 36.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 40.94 99.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -163.03 174.88 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 49.3 p -109.95 161.58 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -159.73 156.36 27.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 35' ' ' ILE . 3.9 m170 -77.79 135.63 63.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.1 Cg_endo -69.75 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.38 -18.03 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -103.16 -42.29 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.25 103.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -141.39 162.89 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.1 t -57.85 171.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.72 -25.29 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -103.25 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.24 -7.03 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 45.54 44.19 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.88 150.79 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -54.48 117.46 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 mtm -103.32 45.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.31 -52.93 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -87.28 -41.87 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 pt -72.57 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.71 -169.27 42.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -168.18 154.8 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.735 ' CG1' HD13 ' A' ' 12' ' ' LEU . 15.3 t -129.91 129.94 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -85.96 120.8 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 70' ' ' LYS . 14.6 tm-20 -148.94 135.89 19.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 24.9 mmtp 39.64 45.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 42.06 99.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.67 137.25 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -100.76 116.22 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -114.21 129.82 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.98 150.78 48.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.63 -30.5 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.6 mp -66.83 -43.39 83.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.29 -53.27 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.642 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 10.6 t80 -50.51 -57.88 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 39.2 tt0 -53.23 -27.58 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -78.25 -48.53 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -84.53 -61.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 15.1 m-85 -59.3 -64.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.672 HD11 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -38.05 126.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -103.82 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -153.37 128.67 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.41 136.3 40.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.29 117.54 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.18 129.1 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.74 123.77 28.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.99 32.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.67 49.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.62 -41.96 3.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -42.53 -43.24 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 25' ' ' THR . 41.5 ttt85 -172.03 156.23 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' ILE . 38.9 p -127.71 70.79 77.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.88 122.04 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -51.96 166.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.29 -30.16 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -87.45 -67.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -75.06 -18.01 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.5 t30 52.13 50.66 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -130.82 143.02 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG23 ' HE3' ' A' ' 27' ' ' MET . 7.7 p -51.2 133.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 39' ' ' PHE . 15.0 mt -99.25 120.89 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -89.66 -43.73 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.57 -159.63 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.18 24.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.755 ' HB3' HG21 ' A' ' 35' ' ' ILE . 48.4 p90 -122.97 177.72 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.9 mt -121.94 148.39 44.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.58 114.52 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.67 -74.72 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.8 mm? -81.97 73.92 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.16 37.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' LEU . 17.3 ttmt -154.44 170.64 20.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -111.21 132.64 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 3.8 m95 -130.77 145.84 52.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.32 139.88 89.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.705 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.727 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.82 -5.13 15.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.67 -29.96 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -89.55 -44.62 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.21 99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -138.96 162.23 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.69 171.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.84 -11.75 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -120.17 -60.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.1 p -79.03 -7.97 58.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 38.6 52.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 171.03 7.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 60' ' ' THR . 9.8 t -70.02 114.78 8.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.2 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.95 -39.98 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 75' ' ' CYS . 34.4 pt -53.1 177.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.36 -171.69 36.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.0 p90 -169.04 163.18 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -134.39 136.33 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -90.0 121.59 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -146.36 123.65 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 47.76 49.64 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.94 41.65 97.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.58 133.91 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 66' ' ' PHE . 96.4 mt -100.13 120.03 39.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -117.92 125.05 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.6 p -60.61 155.83 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -46.62 -36.12 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.4 mt -60.86 -57.05 14.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.32 -49.04 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 24.8 t80 -56.19 -65.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 50.9 tt0 -49.38 -32.85 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -64.09 -46.96 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -93.03 -60.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.2 m-85 -54.5 -63.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 92.9 t -34.73 119.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -114.0 178.34 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -137.68 121.24 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -75.08 135.33 41.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -76.38 122.91 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -79.09 111.44 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -96.52 122.18 58.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 170.34 16.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.271 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 153.62 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 42.36 43.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -130.6 -56.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 25' ' ' THR . 13.2 ttm180 -154.18 146.64 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 36.2 p -111.19 65.78 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.71 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.4 mmt -92.22 120.94 33.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.97 132.19 41.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.33 16.92 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -123.33 -48.78 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -106.82 -15.19 14.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.01 39.34 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -120.72 136.81 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 25' ' ' THR . 3.5 p -52.83 127.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 39' ' ' PHE . 49.4 mt -94.76 121.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -89.28 -53.44 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.16 -159.61 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 133.34 25.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.692 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.4 p90 -124.13 172.16 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 49' ' ' PRO . 16.4 mt -114.97 145.42 42.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.76 114.78 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -130.5 -66.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? -80.69 40.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.23 -37.78 2.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -88.37 172.18 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p -102.28 144.47 30.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -138.11 143.06 40.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.2 m80 -63.46 137.34 97.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 -9.15 25.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -102.2 -39.79 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASN . 75.9 mt-10 -79.71 -46.62 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -42.55 96.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' GLU . 44.5 m-20 -133.01 175.72 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.02 -178.57 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.87 -30.67 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -101.45 -61.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.6 p -77.46 -13.39 59.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt 44.02 50.37 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -112.61 154.74 25.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 7.2 t -51.39 120.46 5.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -106.85 42.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.45 -58.64 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.63 -60.02 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 75' ' ' CYS . 35.8 pt -50.88 170.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.49 -166.32 40.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 34.8 p90 -170.71 158.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -139.43 124.28 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 17.0 tt0 -86.21 121.52 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' LYS . 2.2 tp10 -145.94 139.46 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 34.5 42.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.93 52.34 29.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.55 133.87 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD22 ' HD2' ' A' ' 66' ' ' PHE . 64.5 mt -101.07 116.49 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.9 p -60.71 152.1 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -41.56 -38.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.05 -64.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.8 m -50.64 -53.27 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 83' ' ' PHE . 3.3 t80 -54.79 -60.54 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -48.41 -27.2 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -78.25 -61.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -69.56 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 33.2 m-85 -54.27 -69.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.1 mt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 60.6 t -34.03 118.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -102.77 -176.43 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -149.48 121.49 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.44 123.81 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.19 105.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.37 105.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.85 122.98 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.9 15.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -76.45 153.51 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.47 44.07 51.82 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -133.61 -55.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -150.95 145.99 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -117.3 65.97 4.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.51 0.671 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.72 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 mmt -118.86 125.09 48.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.9 t -53.76 141.29 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -89.03 20.61 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -133.03 -53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 p -98.27 -12.46 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.05 30.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -110.29 137.87 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -52.78 139.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.787 HG21 ' HB3' ' A' ' 39' ' ' PHE . 38.2 mt -103.13 129.04 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -97.25 -52.82 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 -158.76 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.75 135.9 31.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.395 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.787 ' HB3' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -130.49 176.41 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.79 127.3 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.94 118.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.8 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 52.64 25.83 3.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.8 34.59 62.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -158.08 171.5 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -113.72 145.04 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 4.2 m95 -135.23 165.51 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' HG12 ' A' ' 35' ' ' ILE . 4.1 m170 -90.02 133.96 32.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -107.94 -28.44 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 46.0 mt-10 -101.05 -38.73 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.98 95.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 4.3 p30 -136.69 166.28 23.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.21 174.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.48 -28.89 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -100.05 -58.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.6 p -80.72 -10.18 59.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt 43.0 48.48 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.56 151.79 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -44.68 127.96 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.408 ' HE1' ' HB2' ' A' ' 73' ' ' LEU . 41.4 mtm -117.0 39.61 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.4 -58.35 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -73.12 -45.04 59.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.1 pt -77.27 175.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -167.5 39.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CD1' HD22 ' A' ' 73' ' ' LEU . 6.2 p90 -170.16 150.18 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 12' ' ' LEU . 99.2 t -118.07 128.71 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.76 109.19 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -141.16 122.05 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 53.63 45.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.26 46.33 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.62 134.01 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 66' ' ' PHE . 70.3 mt -100.55 114.27 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -111.93 122.38 47.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.57 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -61.53 152.4 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -44.04 -38.23 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.78 -56.13 26.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.4 m -58.26 -58.59 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 7.8 t80 -53.09 -59.13 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -51.29 -18.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -91.14 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.04 -61.07 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 m-85 -57.93 -73.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 67' ' ' VAL . 1.7 pt? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.51 135.54 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.39 178.41 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -145.54 123.96 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 152.26 39.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.23 112.94 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -62.87 123.11 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -114.62 124.08 31.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.48 34.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 161.3 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 -48.26 3.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -52.46 -40.4 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.303 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.9 mtt-85 -161.69 139.12 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.3 p -132.49 61.34 56.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 171.96 13.51 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.01 125.35 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -48.92 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.584 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -104.97 -46.02 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -72.31 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -77.64 -18.63 56.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.8 t30 56.93 44.84 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -122.36 138.32 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.24 131.86 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.882 HG21 ' HB3' ' A' ' 39' ' ' PHE . 14.2 mt -93.43 115.85 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -85.71 -46.98 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.21 -159.16 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 135.89 31.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.882 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.8 p90 -125.74 176.69 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -117.38 138.27 51.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.93 112.41 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -129.75 -75.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.5 mm? -79.88 72.57 6.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.73 42.25 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.584 ' HD3' ' HB2' ' A' ' 29' ' ' ALA . 21.0 mttm -162.89 171.1 17.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -109.99 134.89 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -130.69 141.2 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 3.9 m80 -67.43 137.06 93.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.23 -44.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -84.75 -42.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -41.58 92.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.3 p30 -137.3 167.01 22.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.48 178.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.06 -26.07 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -101.37 -61.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -77.58 -14.1 59.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 50.11 45.46 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -110.23 149.04 30.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 125.5 11.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG2' HD11 ' A' ' 64' ' ' ILE . 56.2 mtm -111.42 41.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.3 -45.87 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -92.28 -63.42 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 75' ' ' CYS . 24.9 pt -48.37 168.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.96 -164.97 38.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 3.6 p90 -170.76 162.83 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 12' ' ' LEU . 39.8 t -142.33 127.71 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.17 123.21 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' LYS . 3.8 tp10 -152.57 139.46 19.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 3.1 mmmp? 37.41 41.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.48 55.03 22.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.38 141.73 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -104.92 121.56 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.64 128.34 55.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.784 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.9 p -67.28 143.68 56.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 15.1 pt-20 -35.64 -41.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 72.6 mt -56.79 -55.54 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.11 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -55.11 -65.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -49.88 -34.65 20.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -61.83 -47.99 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -92.82 -60.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 26.4 m-85 -52.27 -59.89 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.8 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.6 t -33.3 123.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mt-30 -114.32 177.32 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -146.11 121.14 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -70.32 122.62 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.4 111.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.6 114.68 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.435 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.2 mm -106.63 129.43 24.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.38 34.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -77.29 174.62 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.6 47.57 23.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -56.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . 31.5 mtt180 -127.45 -35.52 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 59.1 p 44.88 47.93 4.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 25' ' ' THR . 53.6 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -89.15 131.19 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -55.05 165.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.22 -31.55 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -82.38 -68.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 p -73.93 -30.99 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 73.2 51.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -137.82 133.62 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' THR . 7.2 p -43.16 139.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 48' ' ' HIS . 4.5 mt -107.13 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -59.26 -58.73 7.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -70.84 -161.83 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.95 39.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.2 p90 -125.74 174.51 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -120.65 132.5 55.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.51 114.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.03 146.17 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.05 25.01 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.0 53.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -108.44 172.38 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.9 p -108.55 160.84 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -153.29 159.51 42.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.516 ' CD2' HG23 ' A' ' 35' ' ' ILE . 10.2 m80 -82.69 138.63 43.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.721 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.685 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.3 Cg_endo -69.78 -7.13 20.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.46 -21.81 11.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -98.5 -30.07 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.89 102.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -133.82 173.25 11.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.445 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 1.9 t -70.61 -179.95 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.35 -24.64 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -104.67 -61.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.51 -16.82 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm 49.27 45.94 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.45 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 t -73.86 116.06 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.488 ' HG2' HD11 ' A' ' 64' ' ' ILE . 44.2 mtm -106.74 43.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.03 -47.39 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.8 -51.53 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 75' ' ' CYS . 14.1 pt -61.08 174.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.26 -172.77 41.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 25.4 p90 -165.11 151.3 10.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.98 126.68 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -86.31 126.24 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -147.03 117.75 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 47.53 49.18 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.91 50.12 59.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.22 129.09 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.78 136.48 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.04 123.22 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.718 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -61.66 144.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.9 pt-20 -35.75 -40.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 73.4 mt -56.72 -61.98 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.5 m -53.79 -46.26 71.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 5.2 t80 -60.23 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.9 tp10 -51.03 -19.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -78.87 -54.24 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 84' ' ' ALA . 26.1 m-85 -96.51 -62.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 10.9 m-85 -43.24 -23.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.808 HD12 ' N ' ' A' ' 13' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.808 ' N ' HD12 ' A' ' 12' ' ' LEU . 73.4 t -35.12 119.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -108.7 173.3 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -139.69 138.25 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 130.42 35.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.17 110.04 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.58 122.18 14.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -114.96 121.79 34.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.12 17.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 151.98 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.71 -50.62 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -40.13 -50.09 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -162.32 149.11 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.9 p -124.44 67.52 47.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.73 163.92 36.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.06 123.15 33.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.05 160.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.55 -19.34 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -96.17 -62.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -81.03 -16.92 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.87 38.94 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -122.25 132.46 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -49.02 135.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.4 mt -94.07 105.79 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -87.75 30.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -162.05 -156.99 8.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.09 15.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.61 ' HB3' HG21 ' A' ' 35' ' ' ILE . 40.3 p90 -127.6 173.26 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -121.4 122.82 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.48 113.44 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.93 146.08 30.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.0 mm? 62.79 26.31 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.69 5.12 86.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -130.53 175.0 9.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.652 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 39.3 p -112.6 163.53 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.2 m95 -158.98 149.03 19.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 35' ' ' ILE . 7.1 m80 -70.94 137.16 84.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.487 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.6 Cg_endo -69.67 -7.63 21.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.15 -20.49 14.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 96.5 mt-10 -102.4 -39.8 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -46.57 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLU . 62.5 m-20 -134.14 150.95 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -48.35 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.96 -14.64 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -116.37 -59.04 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.6 p -83.08 -4.45 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 39.87 36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.42 164.73 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' THR . 9.5 t -60.71 121.79 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.7 mtm -112.48 36.85 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.51 -51.75 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -84.05 -46.51 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.5 pt -70.27 170.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -165.16 40.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -170.42 159.95 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.703 HG13 HD13 ' A' ' 12' ' ' LEU . 21.4 t -132.71 129.79 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -88.2 123.72 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -148.03 127.24 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.6 mttt 41.6 51.64 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.28 48.32 86.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.53 137.1 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -103.88 121.58 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -122.48 124.29 43.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.7 p -61.74 153.09 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 7.7 pt-20 -41.99 -39.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 19.2 mt -58.71 -63.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -49.5 -52.84 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.6 t80 -58.32 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.6 tt0 -52.53 -19.27 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -80.48 -48.7 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -90.51 -55.9 3.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 79' ' ' TYR . 17.4 m-85 -55.8 -59.69 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HB3' HG13 ' A' ' 67' ' ' VAL . 8.4 mp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -37.41 122.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -119.51 172.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -135.76 122.36 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.75 135.91 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.47 114.36 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -67.1 105.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -96.32 123.71 53.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.6 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.27 150.28 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 76.09 -55.11 3.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 8.0 tptt -37.29 -37.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.6 mtt-85 -159.37 141.48 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -134.96 61.33 46.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.554 0.692 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 53.8 Cg_endo -69.77 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.588 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.53 121.63 45.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -47.54 165.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.61 -36.39 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -78.31 -67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -77.39 -29.51 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 67.45 49.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -127.4 139.92 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' HE3' ' A' ' 27' ' ' MET . 10.4 p -48.59 136.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.805 HG21 ' HB3' ' A' ' 39' ' ' PHE . 41.4 mt -104.71 122.2 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -90.66 -54.38 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.22 -157.45 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 145.76 58.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 35' ' ' ILE . 41.2 p90 -140.02 -177.08 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.52 120.49 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.77 111.1 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.41 149.06 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 61.34 25.03 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.4 -24.53 13.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -109.06 175.51 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 m -117.57 165.22 13.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 1.4 m95 -148.46 166.05 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -84.48 134.38 42.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.2 4.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -105.92 -30.98 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.36 -40.46 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -41.51 105.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.78 157.48 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.95 178.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.24 -25.86 13.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -106.77 -61.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LYS . 22.4 p -79.33 -2.75 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.9 mmtm 36.86 47.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.2 161.62 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 60' ' ' THR . 1.3 t -59.86 121.38 11.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.8 mtm -107.23 39.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.53 -51.74 5.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -85.63 -64.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.3 pt -50.27 170.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.11 -166.95 43.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 6.4 p90 -168.84 158.54 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 12' ' ' LEU . 83.7 t -135.08 127.45 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.14 130.29 34.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -152.93 124.21 7.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 48.14 43.48 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.04 51.88 46.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.96 134.71 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.81 137.12 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -139.17 122.27 16.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.739 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.2 p -58.55 156.18 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.6 pt-20 -44.45 -37.61 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mt -60.71 -60.96 2.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 65.3 m -55.16 -48.28 73.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.74 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 17.9 t80 -55.46 -63.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.35 -35.14 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -63.58 -48.35 77.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.93 -61.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.74 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 19.7 m-85 -54.2 -66.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 12.5 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.887 0.375 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 t -36.79 138.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -123.44 168.79 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -137.56 132.22 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.62 119.25 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -58.05 120.75 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 3.4 m-70 -71.2 104.76 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.73 124.83 53.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.67 9.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -74.67 147.41 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 85.12 -54.55 4.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' GLY . 22.1 tptp -36.63 -39.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.7 mtt180 -167.95 144.16 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -134.96 62.54 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.494 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 176.51 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ttm -91.53 127.84 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' ' 30' ' ' HIS . 4.5 t -46.09 172.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 -40.28 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 2.7 p-80 -85.34 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 15.5 p -69.96 -22.02 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 60.28 42.26 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -121.04 140.29 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 116.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 48' ' ' HIS . 9.5 mt -74.61 111.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -90.07 51.69 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.55 -153.74 19.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.7 132.65 23.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -133.04 178.11 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.91 118.86 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.52 164.19 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' OE1' ' A' ' 68' ' ' GLU . 1.9 mm? 48.9 25.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.54 45.04 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -174.65 168.5 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.8 p -103.77 153.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' SER . 4.7 m95 -147.51 151.91 37.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.493 ' CE1' HG12 ' A' ' 35' ' ' ILE . 3.5 m80 -76.88 135.83 67.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.531 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 2.58 3.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -106.76 -38.9 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 30' ' ' HIS . 27.3 mt-10 -86.97 -43.04 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.93 99.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.18 166.43 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.32 174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.06 -25.09 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -102.96 -60.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.88 -10.34 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 42.16 51.23 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -112.51 153.23 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -50.36 116.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.0 mtm -104.31 43.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 -46.56 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -87.94 -45.0 10.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 75' ' ' CYS . 41.4 pt -74.7 170.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.34 -174.51 50.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -160.87 158.69 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 79' ' ' TYR . 61.7 t -134.27 128.11 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 43' ' ' LEU . 25.4 tt0 -88.21 121.24 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -147.3 117.97 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 51.78 45.27 28.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.36 49.18 67.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.85 122.5 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.73 118.42 30.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' VAL . 79.2 m-85 -117.6 130.39 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.562 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.8 p -65.4 157.6 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.0 -35.46 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.77 -50.81 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 t80 -52.75 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 34.5 tt0 -50.19 -35.74 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -63.62 -50.83 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -86.45 -62.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 24.8 m-85 -55.2 -65.4 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 5.2 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.917 0.389 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 76.3 t -34.22 117.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -111.57 175.81 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -144.41 123.15 12.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.55 126.79 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.17 107.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.01 107.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.562 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.5 mm -97.02 122.62 55.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.575 0.702 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 145.7 54.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.79 -40.75 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -42.66 -68.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.3 158.47 44.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -127.21 58.49 30.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 160.18 50.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.98 130.1 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -49.15 166.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -100.37 -32.93 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -84.42 -71.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -74.43 -22.29 59.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.0 t30 60.66 51.23 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -123.19 133.6 54.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.02 133.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.2 mt -103.6 129.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -96.27 -53.26 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.56 -156.16 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.26 64.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.7 p90 -144.13 177.08 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 119.79 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -100.71 111.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.58 150.05 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 61.62 38.32 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.9 40.08 98.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.8 pttm -172.08 171.04 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m -120.88 147.14 45.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 45' ' ' LYS . 1.2 m95 -131.52 166.21 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.493 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 2.6 m80 -81.74 129.18 66.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 5.09 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.35 -31.43 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -102.02 -38.19 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.95 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -138.38 172.25 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 5.3 t -67.25 171.67 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.89 -14.05 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -114.05 -45.68 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -104.26 -3.14 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 3.2 mptt 44.13 41.98 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.94 148.52 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -46.35 111.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.0 mtm -100.54 39.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.39 -63.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -77.7 -54.45 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 75' ' ' CYS . 11.5 pt -56.63 169.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.55 -173.51 49.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -165.92 151.03 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.56 127.62 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -86.2 125.57 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -158.89 126.24 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 50.5 46.83 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.21 54.06 40.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.1 134.96 3.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.3 122.38 44.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -113.33 128.59 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.764 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -66.46 140.45 58.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' CYS . 16.9 pt-20 -34.12 -38.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' CYS . 27.1 mt -58.97 -57.71 11.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -55.29 -59.44 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 2.2 t80 -52.75 -51.61 59.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.4 -24.13 63.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -86.85 -31.24 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -98.13 -61.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 6.7 m-85 -59.11 -74.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.092 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD11 HG11 ' A' ' 67' ' ' VAL . 2.0 pt? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 67' ' ' VAL . 78.1 t -40.49 119.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -87.5 -178.94 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -153.66 145.04 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -98.58 125.87 43.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.02 121.34 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -70.4 116.29 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 23' ' ' LYS . 30.5 mm -103.14 130.91 22.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.72 29.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.12 153.27 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.77 -48.18 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HD2' HG23 ' A' ' 19' ' ' ILE . 9.1 tmtt? -47.78 -41.94 24.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -150.13 137.15 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -135.06 58.82 29.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.77 2.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -49.64 171.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.69 -44.96 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -72.69 -63.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -81.45 -25.45 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.2 t30 61.54 46.09 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -124.53 141.38 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.8 127.68 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.828 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.6 mt -95.63 103.23 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm105 -75.82 -37.38 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.41 -168.96 43.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.89 11.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.828 ' HB3' HG21 ' A' ' 35' ' ' ILE . 52.8 p90 -109.09 178.72 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 49' ' ' PRO . 5.8 mt -120.68 121.5 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -105.63 113.22 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -129.77 -69.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.8 mm? -87.45 74.48 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 36.66 28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' LEU . 47.1 mtmt -150.48 168.98 22.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 95.9 p -110.79 128.86 55.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.8 m95 -124.63 141.56 52.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.2 m80 -63.61 138.94 97.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.74 -4.02 13.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.12 -39.44 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ASN . 82.9 mt-10 -83.44 -44.27 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -44.17 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLU . 70.5 m-20 -135.3 163.9 28.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.35 176.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.07 -27.52 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -101.84 -60.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.0 p -80.98 -6.9 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp 38.5 48.66 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -111.62 158.17 19.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -53.95 123.88 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.8 mtm -112.61 42.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.81 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -68.6 -62.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 75' ' ' CYS . 2.2 pp -61.59 168.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 64' ' ' ILE . . . -100.33 172.75 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 73' ' ' LEU . 34.5 p90 -141.53 177.78 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 13' ' ' VAL . 46.3 t -138.02 128.0 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -86.72 122.01 30.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.82 112.77 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 41.12 39.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.28 46.24 5.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 74' ' ' TYR . . . -153.32 122.63 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.582 HD22 ' CD1' ' A' ' 66' ' ' PHE . 55.2 mt -98.03 122.01 40.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 77.8 m-85 -126.31 127.41 45.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD13 ' A' ' 64' ' ' ILE . 28.2 p -61.21 147.46 44.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.94 -25.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.53 -51.68 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.41 -51.34 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 25.4 t80 -49.53 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.576 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 28.7 tt0 -51.44 -30.71 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -71.29 -45.16 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -92.8 -62.27 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 9.7 m-85 -55.6 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' VAL . 23.3 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.832 0.349 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' LEU . 48.0 t -34.71 124.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.586 ' HG3' ' CD1' ' A' ' 66' ' ' PHE . 9.8 pt20 -113.99 153.04 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 162.51 22.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.21 144.55 31.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.56 112.57 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -59.16 123.95 18.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.622 HG21 ' CE2' ' A' ' 39' ' ' PHE . 47.0 mm -117.15 123.96 29.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 174.36 9.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 155.48 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 77.07 -50.04 3.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' GLY . 32.6 tttt -34.03 -48.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 25' ' ' THR . 32.9 ttm-85 -164.91 147.17 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 72.9 p -122.49 70.52 35.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.82 -177.68 2.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -104.06 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.36 171.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.3 -46.16 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -74.74 -63.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -79.56 -19.38 49.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 51.36 48.97 21.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -123.46 137.53 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.0 p -45.86 122.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.4 mt -92.09 117.97 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -85.29 -55.23 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.04 6.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 137.45 35.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.748 ' HB3' HG21 ' A' ' 35' ' ' ILE . 32.7 p90 -127.67 175.9 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 49' ' ' PRO . 8.6 mt -118.63 156.64 28.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.13 113.69 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -134.79 -62.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.0 mm? -87.68 75.11 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 30.86 38.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' LEU . 24.3 mtmm -158.66 174.83 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -113.27 128.5 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -126.69 136.42 52.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.7 m80 -62.61 141.11 96.95 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.71 -12.15 32.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.49 -35.01 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASN . 68.7 mt-10 -84.23 -46.16 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 90.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . 47.3 m-80 -131.36 145.18 51.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.507 ' N ' ' SD ' ' A' ' 61' ' ' MET . 12.3 t -46.88 168.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.46 -14.87 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -108.25 -51.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.75 -6.61 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER 45.49 53.51 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -117.47 142.39 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 60' ' ' THR . 8.8 t -49.99 123.95 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -108.39 39.06 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.07 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -92.56 -44.54 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.684 HD12 ' HB2' ' A' ' 75' ' ' CYS . 17.3 pt -73.62 173.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.32 -170.15 40.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.491 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' ' HG3' ' A' ' 14' ' ' GLN . 6.4 p90 -166.63 169.17 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 79' ' ' TYR . 95.3 t -140.53 123.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD23 ' A' ' 73' ' ' LEU . 28.6 tt0 -86.35 127.11 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -155.46 123.73 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttm 52.9 35.8 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.4 43.76 44.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.03 128.48 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 68' ' ' GLU . 80.7 mt -97.02 122.94 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -116.34 127.18 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.684 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.8 p -64.24 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 75' ' ' CYS . 15.5 pt-20 -32.83 -41.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.4 mp -55.96 -58.89 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.96 -46.3 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 4.3 t80 -59.27 -67.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -50.83 -28.53 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -66.68 -53.64 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -87.72 -60.3 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 31.3 m-85 -51.76 -59.64 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.02 HD11 HG13 ' A' ' 67' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' LEU . 54.0 t -30.66 117.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 68.3 mt-30 -97.41 175.06 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -144.17 121.11 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . . . -68.77 124.25 23.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.11 123.89 21.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.29 119.8 15.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.528 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 48.3 mm -113.22 124.41 31.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.55 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 161.05 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.68 -46.87 2.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -171.67 146.72 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' ILE . 53.1 p -118.92 72.37 11.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.557 0.694 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.77 176.48 6.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.45 117.63 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.57 168.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . . . -106.02 -42.49 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -72.77 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.2 p -81.42 -27.15 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 62.83 46.92 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -125.2 135.04 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 5.9 p -43.39 140.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 39' ' ' PHE . 5.6 mt -108.8 113.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -80.56 -47.74 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.27 -158.7 21.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.28 30.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 26' ' ' PRO . 47.3 p90 -122.21 171.7 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 49' ' ' PRO . 9.0 mt -115.75 159.06 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -147.04 116.21 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.648 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -132.59 -66.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 66' ' ' PHE . 3.7 mm? -87.36 74.05 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.73 33.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LEU . 26.0 mttm -152.73 171.47 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.3 p -109.16 138.94 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' A' ' 29' ' ' ALA . 3.2 m95 -139.54 132.01 28.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.4 m80 -53.92 142.24 45.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.733 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.78 -19.72 35.67 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -94.33 -37.58 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.8 tt0 -77.76 -47.19 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -47.48 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' GLU . 64.0 m-20 -127.95 178.06 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.35 175.3 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.91 -29.65 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -100.65 -61.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.11 -7.85 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 39.24 49.7 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -107.51 160.84 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 t -56.0 114.86 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 39.9 mtm -102.84 41.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.38 -54.54 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -80.85 -59.04 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.744 HD12 ' HB2' ' A' ' 75' ' ' CYS . 42.2 pt -58.86 171.06 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.52 -165.21 40.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.648 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 18.4 p90 -164.86 169.41 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.02 HG13 HD11 ' A' ' 12' ' ' LEU . 58.5 t -140.64 128.8 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -85.55 127.81 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -151.95 121.92 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt 42.8 40.6 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.64 48.25 18.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.75 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 66' ' ' PHE . 92.3 mt -102.8 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -108.25 128.1 54.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.744 ' HB2' HD12 ' A' ' 64' ' ' ILE . 30.0 p -61.36 140.89 57.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' CYS . 9.0 pt-20 -35.83 -37.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.98 -56.31 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 56.6 m -56.61 -58.38 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 12.9 t80 -48.02 -62.63 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 11.9 tt0 -52.41 -38.76 59.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' CYS . 13.8 mtmt -58.79 -38.61 78.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -100.72 -63.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.4 m-85 -50.36 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 43.5 tp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.4 t -33.34 122.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -102.77 -179.28 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -147.1 132.61 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.84 144.11 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -87.05 112.32 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.07 116.76 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.49 121.63 42.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.84 15.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.62 164.99 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 23' ' ' LYS . . . 69.8 20.74 76.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -114.01 -63.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.321 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -143.61 142.82 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 p -115.76 68.49 3.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG2' HD12 ' A' ' 35' ' ' ILE . 53.5 Cg_endo -69.78 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -112.58 118.23 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.1 170.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.25 -48.4 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -74.07 -60.68 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.92 -24.42 41.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 56.19 47.4 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -122.76 136.63 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.6 p -45.39 134.38 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.865 HG21 ' HB3' ' A' ' 39' ' ' PHE . 25.6 mt -102.15 126.14 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -98.53 -49.35 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -157.34 12.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.63 28.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.865 ' HB3' HG21 ' A' ' 35' ' ' ILE . 19.6 p90 -128.48 167.57 16.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.48 152.92 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.3 113.25 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.95 -63.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -89.11 74.16 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.1 34.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.448 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LEU . 32.1 mtmt -153.22 171.26 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -110.17 132.42 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -129.04 136.63 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.498 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 4.8 m80 -64.6 137.62 97.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 8.5 pt-20 -101.27 -48.3 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 pt-20 -81.85 -42.48 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -42.84 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.8 p30 -138.9 174.11 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' MET . 2.0 t -67.57 179.24 1.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 -31.06 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -100.23 -59.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 p -78.94 -10.25 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 40.33 46.52 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -106.15 156.09 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -49.43 114.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' CYS . 29.3 mtm -104.3 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.57 -53.52 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 75' ' ' CYS . 45.5 pt -58.89 171.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.87 -166.23 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.651 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 26.3 p90 -167.3 160.5 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 13' ' ' VAL . 85.9 t -138.52 124.08 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.77 115.72 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -138.1 124.87 21.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.11 46.57 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.74 57.11 10.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -167.42 127.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -94.59 123.13 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' VAL . 83.9 m-85 -120.81 129.18 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.681 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.6 p -66.19 148.95 51.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' CYS . 11.4 pt-20 -38.24 -39.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.39 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.2 m -55.41 -54.64 41.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.789 ' CD2' ' CD2' ' A' ' 83' ' ' PHE . 11.0 t80 -49.27 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -46.57 -48.5 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -46.12 -50.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -91.01 -63.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.789 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 22.5 m-85 -47.89 -59.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.5 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' LEU . 69.4 t -33.72 114.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 2.2 pt20 -127.88 161.44 29.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -125.17 145.03 50.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.95 134.87 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 9.8 tp10 -68.14 119.0 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -74.01 105.05 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 20' ' ' PRO . 17.0 mm -94.34 133.52 27.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 19' ' ' ILE . 53.3 Cg_endo -69.88 166.15 28.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -81.84 148.74 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.47 33.23 23.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.1 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 32.9 mtt180 -120.4 -46.56 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 62.2 p 50.49 50.58 9.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 25' ' ' THR . 54.2 Cg_endo -69.76 168.31 21.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -84.39 129.36 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.64 168.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.23 -33.81 9.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -82.78 -65.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -76.49 -26.15 54.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.44 53.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -136.13 137.07 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.6 136.23 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 48' ' ' HIS . 5.8 mt -103.07 94.28 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -54.24 -63.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -66.85 -161.57 1.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.417 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.8 26.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.436 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 50.6 p90 -111.08 175.49 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 ' HA ' ' A' ' 49' ' ' PRO . 7.3 mt -120.9 125.03 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.3 p -102.37 114.81 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -154.47 149.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 55.8 40.82 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.73 41.81 90.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -168.23 157.89 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.7 p -98.99 155.97 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.4 m95 -149.29 161.69 41.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 35' ' ' ILE . 6.5 m80 -81.33 137.53 48.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.757 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.76 -8.11 22.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.18 -27.28 9.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -92.64 -38.65 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.23 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.69 177.41 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.0 t -77.47 174.69 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.85 -24.57 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -109.86 -52.52 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.5 p -97.81 11.55 36.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 22.17 50.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.0 p-10 -103.17 159.81 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 60' ' ' THR . 4.1 t -53.66 118.18 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -109.74 41.37 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.35 -56.32 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -83.58 -45.13 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 ' HB2' ' A' ' 75' ' ' CYS . 9.8 pt -69.33 172.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.26 -176.38 43.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 3.3 p90 -162.3 161.9 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.66 HG21 ' CD2' ' A' ' 79' ' ' TYR . 86.2 t -134.94 126.58 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.84 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -149.38 106.47 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm 56.29 39.65 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.45 45.52 11.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.45 125.87 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -100.4 116.71 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.75 125.6 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.601 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.9 p -59.58 154.74 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.7 pt-20 -45.05 -36.26 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 17.9 mt -62.16 -53.59 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.77 -40.35 94.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.66 ' CD2' HG21 ' A' ' 67' ' ' VAL . 4.4 t80 -63.05 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 84' ' ' ALA . 30.8 tp10 -49.59 -18.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -79.51 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -99.09 -57.49 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 12.5 m-85 -44.75 -63.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 79.5 t -34.19 124.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 30.2 mt-30 -111.74 -174.87 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -149.35 122.66 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.72 123.07 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -67.3 116.35 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -68.4 107.67 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -94.93 125.16 51.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.57 27.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.333 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 150.54 44.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.1 -51.81 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -38.73 -60.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.33 153.82 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -131.59 66.79 79.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.69 155.69 65.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 tpt -76.35 122.48 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.77 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.13 -37.41 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -76.94 -66.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.2 -17.57 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 61.76 34.02 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -112.18 142.84 44.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.51 125.98 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.893 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.8 mt -89.24 115.01 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -83.51 -53.13 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.07 -154.07 6.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.19 37.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.893 ' HB3' HG21 ' A' ' 35' ' ' ILE . 35.8 p90 -130.27 172.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.2 mt -117.63 125.34 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.87 111.94 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.87 23.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.6 mm? 42.35 35.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.22 39.1 97.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -164.1 175.05 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 25.8 p -112.74 159.37 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.7 m95 -154.67 159.88 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -83.86 135.45 42.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.79 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -106.67 -25.41 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -99.85 -39.75 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -44.66 97.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -128.88 173.8 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.3 t -77.65 172.53 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.72 -23.43 18.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -111.85 -54.74 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.9 p -94.16 10.33 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 21.47 53.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.5 p-10 -106.0 161.16 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -59.6 112.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -102.94 38.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.13 -52.07 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -82.1 -50.47 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 75' ' ' CYS . 47.6 pt -68.99 175.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.65 -168.5 44.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 14.5 p90 -171.0 156.97 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.5 t -135.1 130.76 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -91.22 122.9 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -152.68 122.56 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt 59.11 44.25 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.47 53.33 46.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.86 142.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.6 123.69 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -119.8 126.56 51.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.621 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.4 p -62.1 146.24 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -39.32 -36.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 17.0 mt -60.94 -53.58 55.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.59 -51.45 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 83' ' ' PHE . 10.8 t80 -49.47 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.587 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 55.2 tt0 -52.83 -33.23 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -64.91 -47.02 79.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.42 -62.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' TYR . 11.4 m-85 -56.69 -63.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.3 t -33.83 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 51.5 mt-30 -108.64 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -146.6 110.03 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.94 126.74 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.3 tp10 -70.35 120.4 15.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.72 124.81 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 39' ' ' PHE . 31.0 mm -111.12 123.28 35.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.08 22.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.15 29.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.97 73.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -127.69 -57.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.8 mtt-85 -140.61 140.1 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -132.95 61.73 57.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttm -91.03 116.75 29.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -45.63 169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . . . -108.18 -41.77 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.62 -63.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 p -82.72 -29.57 29.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.7 t30 69.59 42.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -120.45 133.25 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.36 125.06 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.846 HG21 ' HB3' ' A' ' 39' ' ' PHE . 40.5 mt -89.04 124.62 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -91.93 -54.75 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 -157.81 10.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.52 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.4 p90 -126.11 179.64 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 49' ' ' PRO . 3.1 mt -121.35 120.65 35.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.2 p -97.32 115.93 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 155.54 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? 50.95 40.05 24.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.04 38.58 89.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.534 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 29' ' ' ALA . 29.0 mtmt -160.59 164.16 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 p -107.36 136.58 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.2 m95 -129.44 165.45 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.6 m80 -88.39 140.34 30.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.82 -3.71 12.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.91 -34.54 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.4 pt-20 -84.74 -43.05 14.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 4.5 t80 -47.05 93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 9.1 p30 -129.36 141.1 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.6 t -45.08 165.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.64 -16.89 25.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -108.84 -65.76 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.58 -17.3 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 55.75 51.15 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -122.18 156.58 33.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -61.07 125.94 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.505 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 1.1 mpp? -106.9 45.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.31 -53.03 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' O ' HG23 ' A' ' 64' ' ' ILE . 5.0 m-85 -98.6 43.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' TYR . 5.9 pt -160.71 -179.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.92 -178.05 37.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 9.9 p90 -168.04 156.92 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.36 129.02 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 26.5 tt0 -87.53 134.0 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' CE2' ' A' ' 83' ' ' PHE . 19.7 tt0 -159.51 129.88 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? 38.6 44.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.62 52.52 33.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.36 131.48 5.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.29 118.8 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -111.24 125.43 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' LEU . 29.4 p -66.29 140.39 58.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.9 pt-20 -34.61 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 29.2 mt -61.72 -54.4 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.83 -41.7 98.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 11.6 t80 -61.11 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 15.3 tp10 -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -73.67 -60.48 2.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.53 -60.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 17.0 m-85 -44.82 -34.51 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.945 HD12 HG13 ' A' ' 67' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' LEU . 97.8 t -33.62 125.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.42 162.93 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -128.31 115.76 18.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 125.91 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.45 120.87 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -74.47 110.39 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 39' ' ' PHE . 49.2 mm -99.33 127.53 34.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 177.44 5.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.614 2.209 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -81.68 147.13 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.64 -48.14 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -42.46 -48.72 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.299 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.5 mtt-85 -157.83 141.72 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.6 p -132.65 61.89 59.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.83 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.63 126.55 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.12 170.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -101.53 -34.55 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CD2' ' OE2' ' A' ' 51' ' ' GLU . 13.5 t60 -83.4 -70.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -73.89 -22.32 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 60.49 42.94 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.27 137.65 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -41.05 140.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.899 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.0 mt -101.26 97.99 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.34 37.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -175.12 -159.91 22.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 125.9 12.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.396 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.6 p90 -121.34 174.84 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 49' ' ' PRO . 1.1 mt -118.67 119.75 35.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -152.82 162.53 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.3 mm? 48.65 34.51 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.72 95.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -162.37 164.96 27.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.625 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.3 p -104.41 154.97 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.9 m95 -151.44 165.31 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 35' ' ' ILE . 10.0 m170 -87.2 138.85 32.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.723 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.79 -11.78 31.49 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.54 -21.67 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' OE2' ' CD2' ' A' ' 30' ' ' HIS . 18.0 tt0 -97.63 -43.76 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -45.49 97.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -132.95 162.86 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 1.8 t -63.1 177.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.42 -29.57 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -104.37 -58.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 54' ' ' CYS . 16.4 p -78.38 -11.85 59.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 40.58 49.61 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -113.72 149.13 35.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 60' ' ' THR . 9.1 t -46.4 117.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.8 mtm -106.77 39.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.01 -43.06 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.55 -45.71 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.724 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.6 pt -85.18 177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.3 -164.75 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -166.63 158.2 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.945 HG13 HD12 ' A' ' 12' ' ' LEU . 89.6 t -128.01 130.28 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.94 132.67 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -160.61 123.14 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp 50.09 44.23 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.2 43.82 98.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.87 125.71 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.7 mt -92.29 123.88 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.01 125.51 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.724 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.4 p -57.62 163.92 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 77' ' ' LEU . 3.6 pm0 -51.73 -33.75 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.7 mt -64.5 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.427 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 64.1 m -46.94 -47.6 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.663 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 9.5 t80 -55.62 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -52.33 -37.81 56.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -55.98 -43.8 77.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 34.8 m-85 -100.05 -62.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.663 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 33.5 m-85 -48.24 -59.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -153.26 167.82 28.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -108.7 152.12 25.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.12 -95.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m 44.05 42.11 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -146.18 142.73 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 176.81 33.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.34 170.22 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -81.61 130.01 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -137.89 171.67 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -76.08 151.13 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 67' ' ' VAL . 7.2 tt -60.35 -38.61 84.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' LEU . 53.6 t -33.56 107.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 8.1 pt20 -96.36 175.52 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -135.88 166.53 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.27 138.87 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.39 110.41 16.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -67.92 109.52 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.46 128.62 37.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.637 0.732 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.37 24.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 149.01 43.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.62 -43.77 3.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -41.77 -62.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -148.82 151.75 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 p -125.94 66.65 59.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.73 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.756 2.304 . . . . 0.0 112.306 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 121.75 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -47.67 170.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.91 -39.8 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -76.8 -65.72 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -79.06 -26.0 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.23 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -127.27 140.58 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.95 131.05 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.9 mt -97.9 122.5 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -88.33 -46.47 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.48 30.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 136.21 32.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HB3' HG21 ' A' ' 35' ' ' ILE . 11.0 p90 -126.73 172.35 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.99 124.23 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.24 115.55 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.94 156.93 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.8 27.24 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.29 34.58 69.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -162.47 168.86 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.624 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 47.9 p -106.6 157.66 17.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.0 m95 -150.99 163.97 37.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -88.66 135.13 32.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.536 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.68 0.94 4.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -106.45 -28.52 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 47.9 mt-10 -97.98 -40.69 8.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 59.1 m-20 -135.89 160.94 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.77 171.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.45 -23.65 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 2.6 t-160 -107.39 -59.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' LYS . 21.6 p -83.46 -1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' CYS . 16.1 mmmt 34.39 50.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -109.62 164.47 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 60' ' ' THR . 10.1 t -61.78 117.04 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.6 mtm -105.7 39.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.61 -56.08 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -78.95 -57.26 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 75' ' ' CYS . 39.0 pt -61.81 172.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.58 -168.21 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 2.2 p90 -167.55 154.37 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 12' ' ' LEU . 97.3 t -128.52 129.92 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.82 141.57 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -157.37 105.75 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 53.28 42.52 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.32 50.21 8.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.85 124.32 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.29 121.67 37.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.05 122.49 42.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.615 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -62.58 148.9 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' CYS . 4.7 pt-20 -38.0 -41.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.67 -60.42 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 56.7 m -54.49 -49.79 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.684 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -54.94 -64.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.85 -23.64 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.83 -48.37 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 46.3 m-85 -88.12 -56.67 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 19.6 m-85 -57.65 -67.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.21 74.98 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.1 m -74.7 89.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.45 -173.61 33.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 135.51 30.63 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -107.85 119.96 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t -51.28 -43.31 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -102.66 86.61 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 t -125.89 142.95 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.36 89.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -54.18 160.86 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 p -134.19 131.15 38.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.89 57.06 11.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.82 -25.14 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.735 0.302 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -56.13 173.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.72 21.77 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -116.66 148.03 41.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB3' HG13 ' A' ' 67' ' ' VAL . 10.5 mt -67.8 -36.61 80.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.468 ' CG1' ' HA3' ' A' ' 65' ' ' GLY . 69.7 t -34.57 113.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.29 -179.57 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm105 -139.42 117.79 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 122.97 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB3' HG13 ' A' ' 41' ' ' VAL . 7.7 tt0 -61.66 108.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -67.84 106.3 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -97.57 124.98 46.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 111.084 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 173.32 11.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 169.97 17.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.39 34.08 79.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -126.42 -66.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -137.09 141.87 42.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -116.63 61.58 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 168.33 21.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.672 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -97.34 118.71 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -44.75 166.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.63 -31.57 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.76 -69.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 p -76.89 -26.66 54.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.2 t30 63.84 49.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -124.7 135.51 53.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HE3' ' A' ' 27' ' ' MET . 14.1 p -46.2 131.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 39' ' ' PHE . 11.2 mt -101.85 129.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -99.98 -53.4 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.54 -156.81 5.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.13 39.6 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.672 ' HB3' HG21 ' A' ' 35' ' ' ILE . 46.2 p90 -131.94 174.63 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -120.28 122.51 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -101.27 113.04 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.76 166.33 28.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 68' ' ' GLU . 4.1 mm? 46.64 31.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.01 35.82 91.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -160.46 170.78 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -110.13 146.03 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 1.4 m95 -140.77 163.46 32.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.0 m80 -85.99 138.28 35.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.535 0.683 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.84 -6.57 18.96 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.31 -28.14 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -92.99 -41.75 9.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -45.24 106.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -147.5 150.06 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.41 174.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.79 -17.22 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -105.06 -63.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.3 p -79.25 -16.01 57.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 53.14 46.75 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -111.62 161.85 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' THR . 5.2 t -54.7 120.52 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 64' ' ' ILE . 32.0 mtm -108.14 41.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.7 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.78 36.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -150.39 177.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -107.71 145.13 16.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -127.94 165.65 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 12' ' ' LEU . 58.5 t -131.71 136.01 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 43' ' ' LEU . 20.1 tt0 -88.85 124.55 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -154.56 119.45 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 54.98 48.84 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.23 37.62 81.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.33 131.99 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -96.33 124.58 40.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -120.8 130.81 54.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.4 p -67.79 152.27 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 8.9 pt-20 -43.58 -39.01 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 10.0 mt -57.68 -54.34 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -61.16 -57.58 11.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.749 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 9.4 t80 -52.33 -57.21 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.4 tt0 -54.07 -20.79 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -87.23 -46.75 9.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -84.17 -61.89 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 13.4 m-85 -54.6 -69.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -67.89 82.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.2 t -74.14 89.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.38 69.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.5 3.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.6 t 67.52 51.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -92.69 -42.95 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.448 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -57.64 -49.51 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -151.81 154.35 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.8 -174.34 16.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -104.6 171.66 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -147.25 157.13 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.22 135.13 34.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -127.63 119.49 26.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.6 mm-40 50.69 50.68 18.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.97 134.24 55.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.9 m -51.91 136.67 28.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' CG1' ' A' ' 67' ' ' VAL . 1.7 pp -36.88 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.719 ' N ' HD12 ' A' ' 12' ' ' LEU . 93.3 t -35.82 120.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.78 176.35 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -148.95 138.83 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.99 132.14 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.17 119.3 19.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.36 105.35 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.437 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 29.7 mm -92.69 126.05 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.31 35.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.6 154.87 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 81.22 -47.57 3.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 12.8 tppt? -37.06 -56.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -152.26 152.3 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.5 p -125.31 65.55 50.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 mmt -112.48 123.97 51.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 t -49.91 131.95 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . . . -84.42 19.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -129.66 -45.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.91 -7.13 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.7 t30 57.51 32.93 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -104.71 136.93 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.82 119.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 39' ' ' PHE . 28.5 mt -87.84 122.12 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.95 -54.34 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.31 -161.14 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.89 24.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.856 ' HB3' HG21 ' A' ' 35' ' ' ILE . 8.0 p90 -125.94 172.85 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -115.85 132.95 56.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.18 115.3 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.28 165.02 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 42.83 36.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 40.94 99.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -163.03 174.88 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 49.3 p -109.95 161.58 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -159.73 156.36 27.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 35' ' ' ILE . 3.9 m170 -77.79 135.63 63.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.1 Cg_endo -69.75 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.38 -18.03 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -103.16 -42.29 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.25 103.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -141.39 162.89 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.1 t -57.85 171.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.72 -25.29 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -103.25 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.24 -7.03 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 45.54 44.19 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.88 150.79 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -54.48 117.46 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 mtm -103.32 45.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.31 -52.93 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -87.28 -41.87 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 pt -72.57 173.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.71 -169.27 42.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -168.18 154.8 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.735 ' CG1' HD13 ' A' ' 12' ' ' LEU . 15.3 t -129.91 129.94 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -85.96 120.8 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 70' ' ' LYS . 14.6 tm-20 -148.94 135.89 19.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 24.9 mmtp 39.64 45.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 42.06 99.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.67 137.25 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -100.76 116.22 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -114.21 129.82 56.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.98 150.78 48.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.63 -30.5 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.6 mp -66.83 -43.39 83.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.29 -53.27 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.642 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 10.6 t80 -50.51 -57.88 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 39.2 tt0 -53.23 -27.58 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -78.25 -48.53 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -84.53 -61.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 15.1 m-85 -59.3 -64.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -85.52 54.36 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 81.1 p -84.04 44.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.57 -156.57 22.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.5 66.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -78.3 98.44 5.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t 55.8 41.99 29.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.505 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -120.59 150.71 40.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -121.66 161.95 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.1 -124.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 m 48.5 42.38 18.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -81.76 -57.66 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.88 125.42 5.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -109.64 88.26 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.11 139.2 31.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.85 22.79 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 m -129.31 142.0 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -50.95 -35.94 36.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -38.05 126.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -103.82 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -153.37 128.67 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.41 136.3 40.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.29 117.54 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.18 129.1 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.74 123.77 28.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.99 32.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.67 49.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.62 -41.96 3.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -42.53 -43.24 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 25' ' ' THR . 41.5 ttt85 -172.03 156.23 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' ILE . 38.9 p -127.71 70.79 77.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.88 122.04 44.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -51.96 166.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.29 -30.16 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -87.45 -67.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -75.06 -18.01 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.5 t30 52.13 50.66 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -130.82 143.02 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG23 ' HE3' ' A' ' 27' ' ' MET . 7.7 p -51.2 133.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 39' ' ' PHE . 15.0 mt -99.25 120.89 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -89.66 -43.73 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.57 -159.63 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.18 24.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.755 ' HB3' HG21 ' A' ' 35' ' ' ILE . 48.4 p90 -122.97 177.72 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.9 mt -121.94 148.39 44.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.58 114.52 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.67 -74.72 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.8 mm? -81.97 73.92 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.16 37.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' LEU . 17.3 ttmt -154.44 170.64 20.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -111.21 132.64 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 3.8 m95 -130.77 145.84 52.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.32 139.88 89.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.705 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.727 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.82 -5.13 15.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.67 -29.96 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -89.55 -44.62 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -49.21 99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -138.96 162.23 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.69 171.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.84 -11.75 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -120.17 -60.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.1 p -79.03 -7.97 58.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 38.6 52.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 171.03 7.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 60' ' ' THR . 9.8 t -70.02 114.78 8.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -107.2 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.95 -39.98 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 75' ' ' CYS . 34.4 pt -53.1 177.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.36 -171.69 36.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.0 p90 -169.04 163.18 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -134.39 136.33 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -90.0 121.59 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -146.36 123.65 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 47.76 49.64 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.94 41.65 97.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.58 133.91 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 66' ' ' PHE . 96.4 mt -100.13 120.03 39.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -117.92 125.05 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.6 p -60.61 155.83 17.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -46.62 -36.12 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.4 mt -60.86 -57.05 14.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.32 -49.04 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.69 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 24.8 t80 -56.19 -65.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 50.9 tt0 -49.38 -32.85 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -64.09 -46.96 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -93.03 -60.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.2 m-85 -54.5 -63.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -76.44 85.63 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -76.74 149.69 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.98 -156.26 25.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.38 36.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.2 p -50.82 141.89 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.1 p -143.48 127.03 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.458 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -117.37 140.71 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -124.09 145.32 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.97 145.75 5.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -118.7 153.11 34.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m -112.26 156.02 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.51 97.1 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -132.59 110.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.62 127.08 30.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -150.68 133.17 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -64.4 143.8 57.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' H ' HD12 ' A' ' 12' ' ' LEU . 8.4 mp -42.88 -34.6 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 92.9 t -34.73 119.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -114.0 178.34 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -137.68 121.24 17.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -75.08 135.33 41.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -76.38 122.91 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -79.09 111.44 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -96.52 122.18 58.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 170.34 16.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.271 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 153.62 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 42.36 43.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -130.6 -56.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 25' ' ' THR . 13.2 ttm180 -154.18 146.64 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 36.2 p -111.19 65.78 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.71 162.75 40.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.4 mmt -92.22 120.94 33.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -53.97 132.19 41.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.33 16.92 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -123.33 -48.78 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -106.82 -15.19 14.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.01 39.34 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -120.72 136.81 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 25' ' ' THR . 3.5 p -52.83 127.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 39' ' ' PHE . 49.4 mt -94.76 121.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -89.28 -53.44 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.16 -159.61 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 133.34 25.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.692 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.4 p90 -124.13 172.16 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 49' ' ' PRO . 16.4 mt -114.97 145.42 42.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.76 114.78 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -130.5 -66.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? -80.69 40.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.23 -37.78 2.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -88.37 172.18 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p -102.28 144.47 30.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -138.11 143.06 40.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 35' ' ' ILE . 9.2 m80 -63.46 137.34 97.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 -9.15 25.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -102.2 -39.79 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASN . 75.9 mt-10 -79.71 -46.62 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -42.55 96.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 51' ' ' GLU . 44.5 m-20 -133.01 175.72 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.02 -178.57 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.87 -30.67 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -101.45 -61.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.6 p -77.46 -13.39 59.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt 44.02 50.37 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -112.61 154.74 25.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 7.2 t -51.39 120.46 5.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -106.85 42.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.45 -58.64 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.63 -60.02 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 75' ' ' CYS . 35.8 pt -50.88 170.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.49 -166.32 40.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 34.8 p90 -170.71 158.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -139.43 124.28 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 17.0 tt0 -86.21 121.52 28.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' LYS . 2.2 tp10 -145.94 139.46 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 34.5 42.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.93 52.34 29.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.55 133.87 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD22 ' HD2' ' A' ' 66' ' ' PHE . 64.5 mt -101.07 116.49 32.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -115.33 125.3 53.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.9 p -60.71 152.1 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -41.56 -38.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.05 -64.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.8 m -50.64 -53.27 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 83' ' ' PHE . 3.3 t80 -54.79 -60.54 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -48.41 -27.2 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -78.25 -61.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -69.56 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 33.2 m-85 -54.27 -69.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.82 77.94 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 p -85.81 129.29 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.809 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.77 -64.32 0.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -26.14 28.05 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.6 m -80.53 161.81 24.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.7 t -71.5 132.89 45.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.485 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t 45.99 42.25 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -105.38 148.09 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.13 108.47 2.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -154.3 164.28 38.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -141.29 125.85 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.11 82.45 0.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.28 115.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -132.11 137.73 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -118.26 19.57 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -139.95 137.62 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.1 mt -64.96 -37.14 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 60.6 t -34.03 118.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -102.77 -176.43 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -149.48 121.49 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.44 123.81 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.19 105.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.37 105.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.85 122.98 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.9 15.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -76.45 153.51 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.47 44.07 51.82 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -133.61 -55.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.732 0.301 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -150.95 145.99 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -117.3 65.97 4.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.51 0.671 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.72 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 mmt -118.86 125.09 48.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.9 t -53.76 141.29 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -89.03 20.61 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -133.03 -53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 p -98.27 -12.46 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.05 30.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -110.29 137.87 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -52.78 139.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.787 HG21 ' HB3' ' A' ' 39' ' ' PHE . 38.2 mt -103.13 129.04 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -97.25 -52.82 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 -158.76 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.75 135.9 31.64 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.395 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.787 ' HB3' HG21 ' A' ' 35' ' ' ILE . 15.5 p90 -130.49 176.41 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.79 127.3 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.94 118.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.8 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 52.64 25.83 3.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.8 34.59 62.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -158.08 171.5 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -113.72 145.04 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 4.2 m95 -135.23 165.51 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' HG12 ' A' ' 35' ' ' ILE . 4.1 m170 -90.02 133.96 32.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -107.94 -28.44 9.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 46.0 mt-10 -101.05 -38.73 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -43.98 95.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 4.3 p30 -136.69 166.28 23.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.21 174.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.48 -28.89 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -100.05 -58.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.6 p -80.72 -10.18 59.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt 43.0 48.48 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.56 151.79 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -44.68 127.96 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.408 ' HE1' ' HB2' ' A' ' 73' ' ' LEU . 41.4 mtm -117.0 39.61 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.4 -58.35 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -73.12 -45.04 59.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.57 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.1 pt -77.27 175.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.47 -167.5 39.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CD1' HD22 ' A' ' 73' ' ' LEU . 6.2 p90 -170.16 150.18 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 12' ' ' LEU . 99.2 t -118.07 128.71 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.76 109.19 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -141.16 122.05 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 53.63 45.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.26 46.33 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.62 134.01 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 66' ' ' PHE . 70.3 mt -100.55 114.27 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -111.93 122.38 47.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.57 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -61.53 152.4 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -44.04 -38.23 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.78 -56.13 26.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.4 m -58.26 -58.59 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 7.8 t80 -53.09 -59.13 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -51.29 -18.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -91.14 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.04 -61.07 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 m-85 -57.93 -73.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.78 78.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -76.72 122.49 24.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.6 -111.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.89 2.51 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.42 121.55 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.2 m -120.54 93.0 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.516 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -115.24 177.58 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -135.74 148.79 48.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.36 -153.59 29.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -89.44 104.09 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -68.4 102.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.03 170.01 44.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -146.63 146.52 30.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -61.02 118.36 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -96.06 25.5 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 13' ' ' VAL . 18.9 m -139.18 141.98 37.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 67' ' ' VAL . 1.7 pt? -57.97 -19.59 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' THR . 25.5 t -59.51 135.54 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.39 178.41 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -145.54 123.96 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 152.26 39.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.23 112.94 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -62.87 123.11 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -114.62 124.08 31.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.48 34.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 161.3 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 -48.26 3.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -52.46 -40.4 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.735 0.303 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.9 mtt-85 -161.69 139.12 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.3 p -132.49 61.34 56.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 171.96 13.51 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.01 125.35 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -48.92 171.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.584 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -104.97 -46.02 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -72.31 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -77.64 -18.63 56.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.8 t30 56.93 44.84 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -122.36 138.32 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.24 131.86 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.882 HG21 ' HB3' ' A' ' 39' ' ' PHE . 14.2 mt -93.43 115.85 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -85.71 -46.98 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.21 -159.16 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 135.89 31.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.882 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.8 p90 -125.74 176.69 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -117.38 138.27 51.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -124.93 112.41 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 66' ' ' PHE . . . -129.75 -75.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.5 mm? -79.88 72.57 6.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 34.73 42.25 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.584 ' HD3' ' HB2' ' A' ' 29' ' ' ALA . 21.0 mttm -162.89 171.1 17.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -109.99 134.89 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -130.69 141.2 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 3.9 m80 -67.43 137.06 93.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.23 -44.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -84.75 -42.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -41.58 92.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' GLU . 17.3 p30 -137.3 167.01 22.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.48 178.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.06 -26.07 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -101.37 -61.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.8 p -77.58 -14.1 59.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt 50.11 45.46 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -110.23 149.04 30.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 125.5 11.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG2' HD11 ' A' ' 64' ' ' ILE . 56.2 mtm -111.42 41.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.3 -45.87 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -92.28 -63.42 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 75' ' ' CYS . 24.9 pt -48.37 168.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.96 -164.97 38.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 3.6 p90 -170.76 162.83 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 12' ' ' LEU . 39.8 t -142.33 127.71 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.17 123.21 31.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' LYS . 3.8 tp10 -152.57 139.46 19.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 3.1 mmmp? 37.41 41.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.48 55.03 22.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.38 141.73 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -104.92 121.56 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -116.64 128.34 55.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.784 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.9 p -67.28 143.68 56.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 15.1 pt-20 -35.64 -41.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 72.6 mt -56.79 -55.54 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.11 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 15.6 t80 -55.11 -65.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -49.88 -34.65 20.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -61.83 -47.99 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -92.82 -60.3 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 26.4 m-85 -52.27 -59.89 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.82 80.88 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.9 m -80.51 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -50.46 -96.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -115.49 150.34 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -125.46 128.42 48.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.493 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -142.38 114.11 7.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -63.18 -50.32 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.3 -125.55 2.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -73.22 122.32 21.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -41.28 -51.53 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.85 43.7 3.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.32 93.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -122.18 110.99 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.95 34.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -131.76 136.18 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.8 mp -39.6 -37.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.6 t -33.3 123.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mt-30 -114.32 177.32 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -146.11 121.14 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -70.32 122.62 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -66.4 111.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.6 114.68 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.435 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.2 mm -106.63 129.43 24.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.38 34.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -77.29 174.62 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.6 47.57 23.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -56.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . 31.5 mtt180 -127.45 -35.52 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 59.1 p 44.88 47.93 4.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 25' ' ' THR . 53.6 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -89.15 131.19 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -55.05 165.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.22 -31.55 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -82.38 -68.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 p -73.93 -30.99 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 73.2 51.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -137.82 133.62 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' THR . 7.2 p -43.16 139.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 48' ' ' HIS . 4.5 mt -107.13 95.21 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -59.26 -58.73 7.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -70.84 -161.83 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.95 39.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.2 p90 -125.74 174.51 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -120.65 132.5 55.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.51 114.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.03 146.17 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.05 25.01 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.0 53.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -108.44 172.38 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.9 p -108.55 160.84 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.1 m95 -153.29 159.51 42.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.516 ' CD2' HG23 ' A' ' 35' ' ' ILE . 10.2 m80 -82.69 138.63 43.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.721 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.685 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.3 Cg_endo -69.78 -7.13 20.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.46 -21.81 11.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -98.5 -30.07 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.89 102.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -133.82 173.25 11.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.445 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 1.9 t -70.61 -179.95 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.35 -24.64 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -104.67 -61.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.51 -16.82 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm 49.27 45.94 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.45 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 t -73.86 116.06 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.488 ' HG2' HD11 ' A' ' 64' ' ' ILE . 44.2 mtm -106.74 43.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.03 -47.39 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.8 -51.53 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 75' ' ' CYS . 14.1 pt -61.08 174.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.26 -172.77 41.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 25.4 p90 -165.11 151.3 10.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.98 126.68 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -86.31 126.24 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -147.03 117.75 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 47.53 49.18 16.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.91 50.12 59.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.22 129.09 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.78 136.48 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.04 123.22 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.718 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.6 p -61.66 144.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.9 pt-20 -35.75 -40.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 73.4 mt -56.72 -61.98 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.5 m -53.79 -46.26 71.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 5.2 t80 -60.23 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 6.9 tp10 -51.03 -19.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -78.87 -54.24 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 84' ' ' ALA . 26.1 m-85 -96.51 -62.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 10.9 m-85 -43.24 -23.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -117.12 84.36 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -100.15 135.53 41.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.25 -75.23 1.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.34 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -43.58 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.6 t -60.31 122.68 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.452 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -46.93 117.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -86.38 -2.39 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.66 -111.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m 42.57 41.27 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -137.4 169.99 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.97 41.72 1.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.76 169.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.02 84.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.76 140.61 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' VAL . 8.4 m -130.02 145.25 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.808 HD12 ' N ' ' A' ' 13' ' ' VAL . 1.6 pp -35.58 -31.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.808 ' N ' HD12 ' A' ' 12' ' ' LEU . 73.4 t -35.12 119.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -108.7 173.3 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -139.69 138.25 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 130.42 35.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.17 110.04 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.58 122.18 14.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -114.96 121.79 34.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.12 17.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 151.98 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.71 -50.62 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -40.13 -50.09 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -162.32 149.11 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.9 p -124.44 67.52 47.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.73 163.92 36.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 tpt -90.06 123.15 33.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.05 160.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.55 -19.34 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -96.17 -62.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -81.03 -16.92 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.87 38.94 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -122.25 132.46 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -49.02 135.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.4 mt -94.07 105.79 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -87.75 30.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -162.05 -156.99 8.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 128.09 15.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.61 ' HB3' HG21 ' A' ' 35' ' ' ILE . 40.3 p90 -127.6 173.26 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -121.4 122.82 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.48 113.44 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.93 146.08 30.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.0 mm? 62.79 26.31 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.69 5.12 86.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -130.53 175.0 9.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.652 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 39.3 p -112.6 163.53 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.2 m95 -158.98 149.03 19.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 35' ' ' ILE . 7.1 m80 -70.94 137.16 84.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.6 Cg_endo -69.67 -7.63 21.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -102.15 -20.49 14.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 96.5 mt-10 -102.4 -39.8 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -46.57 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLU . 62.5 m-20 -134.14 150.95 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 t -48.35 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.96 -14.64 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -116.37 -59.04 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.6 p -83.08 -4.45 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 39.87 36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.42 164.73 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' THR . 9.5 t -60.71 121.79 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.7 mtm -112.48 36.85 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.51 -51.75 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -84.05 -46.51 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.5 pt -70.27 170.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -165.16 40.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -170.42 159.95 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.703 HG13 HD13 ' A' ' 12' ' ' LEU . 21.4 t -132.71 129.79 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -88.2 123.72 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -148.03 127.24 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.6 mttt 41.6 51.64 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.28 48.32 86.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.53 137.1 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.4 mt -103.88 121.58 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -122.48 124.29 43.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.7 p -61.74 153.09 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 7.7 pt-20 -41.99 -39.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 19.2 mt -58.71 -63.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -49.5 -52.84 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.6 t80 -58.32 -64.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 48.6 tt0 -52.53 -19.27 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -80.48 -48.7 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -90.51 -55.9 3.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CD2' ' CZ ' ' A' ' 79' ' ' TYR . 17.4 m-85 -55.8 -59.69 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -84.04 87.69 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -94.96 -41.52 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.74 136.15 2.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 90.7 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.318 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.1 m -51.24 143.54 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -41.56 -55.24 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.543 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -149.68 144.09 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -95.32 137.17 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.55 -166.53 13.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -170.23 170.38 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -156.22 146.58 21.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.32 -58.88 5.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.34 168.14 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -131.94 173.82 10.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.72 169.42 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m -75.06 149.16 39.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HB3' HG13 ' A' ' 67' ' ' VAL . 8.4 mp -48.14 -29.01 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -37.41 122.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -119.51 172.52 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -135.76 122.36 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.75 135.91 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.47 114.36 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -67.1 105.95 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -96.32 123.71 53.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.6 33.93 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.27 150.28 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 76.09 -55.11 3.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 8.0 tptt -37.29 -37.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.6 mtt-85 -159.37 141.48 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 p -134.96 61.33 46.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.554 0.692 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 53.8 Cg_endo -69.77 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.588 ' HE3' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -108.53 121.63 45.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -47.54 165.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -103.61 -36.39 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -78.31 -67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -77.39 -29.51 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 67.45 49.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -127.4 139.92 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' HE3' ' A' ' 27' ' ' MET . 10.4 p -48.59 136.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.805 HG21 ' HB3' ' A' ' 39' ' ' PHE . 41.4 mt -104.71 122.2 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -90.66 -54.38 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.22 -157.45 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 145.76 58.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.805 ' HB3' HG21 ' A' ' 35' ' ' ILE . 41.2 p90 -140.02 -177.08 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.52 120.49 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.77 111.1 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.41 149.06 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 61.34 25.03 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.4 -24.53 13.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -109.06 175.51 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 m -117.57 165.22 13.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 29' ' ' ALA . 1.4 m95 -148.46 166.05 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -84.48 134.38 42.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.2 4.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -105.92 -30.98 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.36 -40.46 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -41.51 105.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.78 157.48 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.95 178.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.24 -25.86 13.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -106.77 -61.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LYS . 22.4 p -79.33 -2.75 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.9 mmtm 36.86 47.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.2 161.62 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 60' ' ' THR . 1.3 t -59.86 121.38 11.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.8 mtm -107.23 39.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.53 -51.74 5.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -85.63 -64.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 75' ' ' CYS . 43.3 pt -50.27 170.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.11 -166.95 43.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 6.4 p90 -168.84 158.54 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 12' ' ' LEU . 83.7 t -135.08 127.45 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.14 130.29 34.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -152.93 124.21 7.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 48.14 43.48 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.04 51.88 46.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.96 134.71 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.81 137.12 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -139.17 122.27 16.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.739 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.2 p -58.55 156.18 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 9.6 pt-20 -44.45 -37.61 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mt -60.71 -60.96 2.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 65.3 m -55.16 -48.28 73.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.74 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 17.9 t80 -55.46 -63.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.35 -35.14 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -63.58 -48.35 77.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.93 -61.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.74 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 19.7 m-85 -54.2 -66.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 49.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -99.92 159.03 15.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.6 146.87 49.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 145.87 58.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m 54.4 44.39 28.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -81.28 113.94 19.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -149.49 170.93 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -118.88 140.6 49.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.04 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -162.83 134.34 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -152.6 150.57 29.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.67 -114.11 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -152.59 117.01 4.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.1 87.14 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.04 22.75 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -155.05 150.06 26.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 12.5 tp -55.37 -32.79 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 t -36.79 138.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -123.44 168.79 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -137.56 132.22 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.62 119.25 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -58.05 120.75 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 3.4 m-70 -71.2 104.76 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.73 124.83 53.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.67 9.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -74.67 147.41 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 85.12 -54.55 4.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' GLY . 22.1 tptp -36.63 -39.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.7 mtt180 -167.95 144.16 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -134.96 62.54 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.494 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 176.51 6.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ttm -91.53 127.84 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' ' 30' ' ' HIS . 4.5 t -46.09 172.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.16 -40.28 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 2.7 p-80 -85.34 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 15.5 p -69.96 -22.02 63.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 60.28 42.26 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -121.04 140.29 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.25 116.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 48' ' ' HIS . 9.5 mt -74.61 111.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -90.07 51.69 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.55 -153.74 19.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.7 132.65 23.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE2' ' CD ' ' A' ' 26' ' ' PRO . 20.4 p90 -133.04 178.11 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.91 118.86 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.52 164.19 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' OE1' ' A' ' 68' ' ' GLU . 1.9 mm? 48.9 25.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.54 45.04 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -174.65 168.5 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.8 p -103.77 153.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' SER . 4.7 m95 -147.51 151.91 37.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.493 ' CE1' HG12 ' A' ' 35' ' ' ILE . 3.5 m80 -76.88 135.83 67.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.531 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 2.58 3.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -106.76 -38.9 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 30' ' ' HIS . 27.3 mt-10 -86.97 -43.04 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.93 99.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.18 166.43 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.32 174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.06 -25.09 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -102.96 -60.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.88 -10.34 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 42.16 51.23 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -112.51 153.23 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -50.36 116.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.0 mtm -104.31 43.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 -46.56 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -87.94 -45.0 10.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 75' ' ' CYS . 41.4 pt -74.7 170.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.34 -174.51 50.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -160.87 158.69 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 79' ' ' TYR . 61.7 t -134.27 128.11 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 43' ' ' LEU . 25.4 tt0 -88.21 121.24 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -147.3 117.97 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 51.78 45.27 28.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.36 49.18 67.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.85 122.5 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.73 118.42 30.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' VAL . 79.2 m-85 -117.6 130.39 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.562 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.8 p -65.4 157.6 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.0 -35.46 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.5 m -51.77 -50.81 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 t80 -52.75 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 34.5 tt0 -50.19 -35.74 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -63.62 -50.83 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -86.45 -62.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 24.8 m-85 -55.2 -65.4 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -81.49 49.85 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.2 p -88.45 161.91 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.61 146.42 47.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -132.8 166.56 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.0 p -85.56 176.73 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.429 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -144.27 157.18 44.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -149.23 158.76 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 172.65 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -125.39 110.3 13.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 m -97.77 170.15 9.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.77 172.07 55.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.79 -25.79 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.74 167.28 16.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -111.66 22.83 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 m -136.54 146.58 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.74 ' H ' HD12 ' A' ' 12' ' ' LEU . 5.2 mp -37.03 -34.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 76.3 t -34.22 117.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -111.57 175.81 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -144.41 123.15 12.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.55 126.79 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.17 107.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.01 107.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.562 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.5 mm -97.02 122.62 55.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.575 0.702 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 145.7 54.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.79 -40.75 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -42.66 -68.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.3 158.47 44.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -127.21 58.49 30.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 160.18 50.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.98 130.1 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -49.15 166.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -100.37 -32.93 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -84.42 -71.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -74.43 -22.29 59.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.0 t30 60.66 51.23 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -123.19 133.6 54.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.02 133.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.2 mt -103.6 129.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -96.27 -53.26 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.56 -156.16 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.26 64.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 26' ' ' PRO . 48.7 p90 -144.13 177.08 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 119.79 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 p -100.71 111.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.58 150.05 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 61.62 38.32 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.9 40.08 98.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.8 pttm -172.08 171.04 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m -120.88 147.14 45.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 45' ' ' LYS . 1.2 m95 -131.52 166.21 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.493 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 2.6 m80 -81.74 129.18 66.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 5.09 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.35 -31.43 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -102.02 -38.19 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.95 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -138.38 172.25 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 5.3 t -67.25 171.67 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.89 -14.05 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -114.05 -45.68 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.8 p -104.26 -3.14 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 3.2 mptt 44.13 41.98 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.94 148.52 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -46.35 111.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.0 mtm -100.54 39.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.39 -63.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -77.7 -54.45 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 75' ' ' CYS . 11.5 pt -56.63 169.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.55 -173.51 49.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -165.92 151.03 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.56 127.62 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -86.2 125.57 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -158.89 126.24 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 50.5 46.83 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.21 54.06 40.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.1 134.96 3.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.3 122.38 44.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -113.33 128.59 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.764 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.8 p -66.46 140.45 58.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' CYS . 16.9 pt-20 -34.12 -38.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' CYS . 27.1 mt -58.97 -57.71 11.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.6 m -55.29 -59.44 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 2.2 t80 -52.75 -51.61 59.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.4 -24.13 63.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -86.85 -31.24 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -98.13 -61.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 6.7 m-85 -59.11 -74.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.95 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 t -68.31 149.24 49.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.26 119.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.308 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.0 p -77.7 -44.98 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.0 m -85.73 40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.496 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -95.06 -49.11 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 50.15 42.6 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.36 -158.98 11.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -143.5 137.1 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.8 p -156.82 130.05 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.44 140.88 5.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -94.93 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -104.27 151.07 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -149.16 166.53 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.85 HG22 HD23 ' A' ' 12' ' ' LEU . 4.5 m -66.39 142.56 57.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.85 HD23 HG22 ' A' ' 11' ' ' THR . 2.0 pt? -40.21 -29.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 67' ' ' VAL . 78.1 t -40.49 119.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -87.5 -178.94 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -153.66 145.04 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -98.58 125.87 43.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.02 121.34 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -70.4 116.29 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 23' ' ' LYS . 30.5 mm -103.14 130.91 22.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 165.72 29.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.728 2.286 . . . . 0.0 112.38 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.12 153.27 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.77 -48.18 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HD2' HG23 ' A' ' 19' ' ' ILE . 9.1 tmtt? -47.78 -41.94 24.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -150.13 137.15 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -135.06 58.82 29.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -177.77 2.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -49.64 171.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.69 -44.96 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -72.69 -63.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -81.45 -25.45 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.2 t30 61.54 46.09 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -124.53 141.38 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.8 127.68 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.828 HG21 ' HB3' ' A' ' 39' ' ' PHE . 24.6 mt -95.63 103.23 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm105 -75.82 -37.38 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.41 -168.96 43.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 124.89 11.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.828 ' HB3' HG21 ' A' ' 35' ' ' ILE . 52.8 p90 -109.09 178.72 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 49' ' ' PRO . 5.8 mt -120.68 121.5 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -105.63 113.22 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -129.77 -69.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.8 mm? -87.45 74.48 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 36.66 28.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' LEU . 47.1 mtmt -150.48 168.98 22.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 95.9 p -110.79 128.86 55.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.8 m95 -124.63 141.56 52.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.2 m80 -63.61 138.94 97.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.74 -4.02 13.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.12 -39.44 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ASN . 82.9 mt-10 -83.44 -44.27 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -44.17 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLU . 70.5 m-20 -135.3 163.9 28.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.35 176.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.07 -27.52 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -101.84 -60.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.0 p -80.98 -6.9 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp 38.5 48.66 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -111.62 158.17 19.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -53.95 123.88 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.8 mtm -112.61 42.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.81 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -68.6 -62.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 75' ' ' CYS . 2.2 pp -61.59 168.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 64' ' ' ILE . . . -100.33 172.75 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 73' ' ' LEU . 34.5 p90 -141.53 177.78 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 13' ' ' VAL . 46.3 t -138.02 128.0 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -86.72 122.01 30.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.82 112.77 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 41.12 39.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.28 46.24 5.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 74' ' ' TYR . . . -153.32 122.63 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.582 HD22 ' CD1' ' A' ' 66' ' ' PHE . 55.2 mt -98.03 122.01 40.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 77.8 m-85 -126.31 127.41 45.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD13 ' A' ' 64' ' ' ILE . 28.2 p -61.21 147.46 44.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.94 -25.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.53 -51.68 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.41 -51.34 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 25.4 t80 -49.53 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 28.7 tt0 -51.44 -30.71 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -71.29 -45.16 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -92.8 -62.27 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 9.7 m-85 -55.6 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -78.98 54.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -115.2 156.8 24.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.03 -95.27 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 88.45 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.6 t -148.87 137.36 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.4 m -90.34 83.44 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.505 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -89.07 156.8 18.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -112.89 150.35 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.44 120.66 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -82.4 95.43 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -147.9 177.74 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.31 -51.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -123.91 43.88 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -112.61 86.35 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -159.66 135.59 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -121.32 142.47 49.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' VAL . 23.3 tp -46.39 -35.85 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' LEU . 48.0 t -34.71 124.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.586 ' HG3' ' CD1' ' A' ' 66' ' ' PHE . 9.8 pt20 -113.99 153.04 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 162.51 22.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.21 144.55 31.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.56 112.57 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -59.16 123.95 18.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.622 HG21 ' CE2' ' A' ' 39' ' ' PHE . 47.0 mm -117.15 123.96 29.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 174.36 9.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 155.48 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . . . 77.07 -50.04 3.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' GLY . 32.6 tttt -34.03 -48.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 25' ' ' THR . 32.9 ttm-85 -164.91 147.17 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 72.9 p -122.49 70.52 35.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.82 -177.68 2.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -104.06 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.36 171.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.3 -46.16 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -74.74 -63.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -79.56 -19.38 49.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 51.36 48.97 21.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -123.46 137.53 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.0 p -45.86 122.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.4 mt -92.09 117.97 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -85.29 -55.23 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.04 6.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 137.45 35.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.748 ' HB3' HG21 ' A' ' 35' ' ' ILE . 32.7 p90 -127.67 175.9 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 49' ' ' PRO . 8.6 mt -118.63 156.64 28.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.13 113.69 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -134.79 -62.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.0 mm? -87.68 75.11 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 30.86 38.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' LEU . 24.3 mtmm -158.66 174.83 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.7 p -113.27 128.5 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -126.69 136.42 52.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.7 m80 -62.61 141.11 96.95 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.71 -12.15 32.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.49 -35.01 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASN . 68.7 mt-10 -84.23 -46.16 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 90.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' GLU . 47.3 m-80 -131.36 145.18 51.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.507 ' N ' ' SD ' ' A' ' 61' ' ' MET . 12.3 t -46.88 168.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.46 -14.87 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -108.25 -51.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.75 -6.61 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER 45.49 53.51 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -117.47 142.39 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 60' ' ' THR . 8.8 t -49.99 123.95 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -108.39 39.06 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.07 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -92.56 -44.54 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.684 HD12 ' HB2' ' A' ' 75' ' ' CYS . 17.3 pt -73.62 173.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.32 -170.15 40.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.491 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' ' HG3' ' A' ' 14' ' ' GLN . 6.4 p90 -166.63 169.17 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 79' ' ' TYR . 95.3 t -140.53 123.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD23 ' A' ' 73' ' ' LEU . 28.6 tt0 -86.35 127.11 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -155.46 123.73 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttm 52.9 35.8 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.4 43.76 44.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.03 128.48 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 68' ' ' GLU . 80.7 mt -97.02 122.94 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -116.34 127.18 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.684 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.8 p -64.24 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 75' ' ' CYS . 15.5 pt-20 -32.83 -41.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 77' ' ' LEU . 4.4 mp -55.96 -58.89 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.96 -46.3 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD1' ' HB2' ' A' ' 83' ' ' PHE . 4.3 t80 -59.27 -67.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -50.83 -28.53 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -66.68 -53.64 31.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -87.72 -60.3 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 31.3 m-85 -51.76 -59.64 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.26 44.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t -83.27 117.79 23.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.78 75.37 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 151.81 68.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.303 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.2 p -90.46 88.0 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.8 m -104.04 122.35 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -144.44 127.54 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -117.29 168.89 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.83 99.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -115.96 97.79 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -168.67 141.59 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.27 -80.88 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -131.22 86.39 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.08 95.51 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.66 20.89 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -142.99 152.0 41.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.02 HD11 HG13 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -81.44 -29.23 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' LEU . 54.0 t -30.66 117.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 68.3 mt-30 -97.41 175.06 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -144.17 121.11 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . . . -68.77 124.25 23.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.11 123.89 21.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.29 119.8 15.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.528 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 48.3 mm -113.22 124.41 31.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.55 37.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 161.05 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.68 -46.87 2.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -171.67 146.72 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' ILE . 53.1 p -118.92 72.37 11.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.557 0.694 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.77 176.48 6.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.45 117.63 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.57 168.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . . . -106.02 -42.49 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -72.77 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.2 p -81.42 -27.15 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 m120 62.83 46.92 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -125.2 135.04 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 5.9 p -43.39 140.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 39' ' ' PHE . 5.6 mt -108.8 113.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -80.56 -47.74 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.27 -158.7 21.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.28 30.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' HG3' ' A' ' 26' ' ' PRO . 47.3 p90 -122.21 171.7 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 49' ' ' PRO . 9.0 mt -115.75 159.06 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -147.04 116.21 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.648 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -132.59 -66.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 66' ' ' PHE . 3.7 mm? -87.36 74.05 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.73 33.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LEU . 26.0 mttm -152.73 171.47 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.3 p -109.16 138.94 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' A' ' 29' ' ' ALA . 3.2 m95 -139.54 132.01 28.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 35' ' ' ILE . 14.4 m80 -53.92 142.24 45.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.733 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.78 -19.72 35.67 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -94.33 -37.58 11.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.8 tt0 -77.76 -47.19 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -47.48 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' GLU . 64.0 m-20 -127.95 178.06 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 t -78.35 175.3 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.91 -29.65 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -100.65 -61.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.11 -7.85 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 39.24 49.7 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -107.51 160.84 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 t -56.0 114.86 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 39.9 mtm -102.84 41.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.38 -54.54 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -80.85 -59.04 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.744 HD12 ' HB2' ' A' ' 75' ' ' CYS . 42.2 pt -58.86 171.06 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.52 -165.21 40.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.648 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 18.4 p90 -164.86 169.41 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.02 HG13 HD11 ' A' ' 12' ' ' LEU . 58.5 t -140.64 128.8 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -85.55 127.81 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -151.95 121.92 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt 42.8 40.6 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.64 48.25 18.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.75 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 66' ' ' PHE . 92.3 mt -102.8 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -108.25 128.1 54.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.744 ' HB2' HD12 ' A' ' 64' ' ' ILE . 30.0 p -61.36 140.89 57.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' CYS . 9.0 pt-20 -35.83 -37.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.98 -56.31 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 56.6 m -56.61 -58.38 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CE2' ' CG ' ' A' ' 83' ' ' PHE . 12.9 t80 -48.02 -62.63 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 11.9 tt0 -52.41 -38.76 59.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' CYS . 13.8 mtmt -58.79 -38.61 78.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -100.72 -63.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.601 ' CG ' ' CE2' ' A' ' 79' ' ' TYR . 12.4 m-85 -50.36 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' GLU . . . -45.65 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ALA . 48.2 t -37.63 -42.94 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.53 131.76 51.28 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -29.2 24.11 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -145.19 161.61 39.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 m -131.74 148.86 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m 46.28 42.12 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -89.8 176.46 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.9 63.82 0.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -123.81 84.25 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -114.32 -47.6 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.1 105.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -73.89 166.09 23.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -46.0 167.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.29 25.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 13' ' ' VAL . 24.6 m -136.05 151.37 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 43.5 tp -72.24 -39.34 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.505 ' H ' HG22 ' A' ' 11' ' ' THR . 74.4 t -33.34 122.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -102.77 -179.28 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -147.1 132.61 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.84 144.11 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -87.05 112.32 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.07 116.76 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.49 121.63 42.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 170.84 15.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.32 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.62 164.99 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 23' ' ' LYS . . . 69.8 20.74 76.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -114.01 -63.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.321 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -143.61 142.82 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.3 p -115.76 68.49 3.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG2' HD12 ' A' ' 35' ' ' ILE . 53.5 Cg_endo -69.78 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CE ' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -112.58 118.23 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.1 170.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.25 -48.4 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -74.07 -60.68 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.92 -24.42 41.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 56.19 47.4 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -122.76 136.63 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.6 p -45.39 134.38 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.865 HG21 ' HB3' ' A' ' 39' ' ' PHE . 25.6 mt -102.15 126.14 56.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -98.53 -49.35 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -157.34 12.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.63 28.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.865 ' HB3' HG21 ' A' ' 35' ' ' ILE . 19.6 p90 -128.48 167.57 16.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.48 152.92 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.3 113.25 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 66' ' ' PHE . . . -129.95 -63.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mm? -89.11 74.16 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . 33.1 34.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.448 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' LEU . 32.1 mtmt -153.22 171.26 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -110.17 132.42 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -129.04 136.63 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.498 ' HB2' ' CG ' ' A' ' 51' ' ' GLU . 4.8 m80 -64.6 137.62 97.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 8.5 pt-20 -101.27 -48.3 4.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 pt-20 -81.85 -42.48 19.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -42.84 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.8 p30 -138.9 174.11 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' MET . 2.0 t -67.57 179.24 1.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 -31.06 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -100.23 -59.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 p -78.94 -10.25 59.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 40.33 46.52 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -106.15 156.09 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -49.43 114.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' CYS . 29.3 mtm -104.3 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.77 -60.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.57 -53.52 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 75' ' ' CYS . 45.5 pt -58.89 171.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.87 -166.23 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.651 ' HZ ' ' HB1' ' A' ' 42' ' ' ALA . 26.3 p90 -167.3 160.5 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 13' ' ' VAL . 85.9 t -138.52 124.08 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.77 115.72 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -138.1 124.87 21.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.11 46.57 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.74 57.11 10.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -167.42 127.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -94.59 123.13 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' VAL . 83.9 m-85 -120.81 129.18 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.681 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.6 p -66.19 148.95 51.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' CYS . 11.4 pt-20 -38.24 -39.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.39 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.2 m -55.41 -54.64 41.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.789 ' CD2' ' CD2' ' A' ' 83' ' ' PHE . 11.0 t80 -49.27 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -46.57 -48.5 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -46.12 -50.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -91.01 -63.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.789 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 22.5 m-85 -47.89 -59.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.7 50.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 126.77 24.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -138.18 -74.44 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.28 4.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 t -108.97 168.81 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -139.8 171.48 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.544 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -128.97 129.98 46.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -153.73 143.54 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.26 148.55 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -120.22 168.91 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 41.7 t -112.66 97.4 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.78 85.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.71 126.7 27.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -132.23 129.07 39.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -120.07 173.11 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.647 HG23 ' H ' ' A' ' 13' ' ' VAL . 10.0 t -140.17 -175.59 4.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.5 mm? -54.5 -39.4 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.647 ' H ' HG23 ' A' ' 11' ' ' THR . 69.4 t -33.72 114.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 66' ' ' PHE . 2.2 pt20 -127.88 161.44 29.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -125.17 145.03 50.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.95 134.87 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 9.8 tp10 -68.14 119.0 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -74.01 105.05 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 20' ' ' PRO . 17.0 mm -94.34 133.52 27.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 19' ' ' ILE . 53.3 Cg_endo -69.88 166.15 28.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . . . -81.84 148.74 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.47 33.23 23.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.1 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 32.9 mtt180 -120.4 -46.56 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 62.2 p 50.49 50.58 9.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 25' ' ' THR . 54.2 Cg_endo -69.76 168.31 21.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ttm -84.39 129.36 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.64 168.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.23 -33.81 9.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -82.78 -65.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -76.49 -26.15 54.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.44 53.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -136.13 137.07 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.6 136.23 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 48' ' ' HIS . 5.8 mt -103.07 94.28 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -54.24 -63.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 21' ' ' ALA . . . -66.85 -161.57 1.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.417 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.8 26.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.436 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 50.6 p90 -111.08 175.49 5.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 ' HA ' ' A' ' 49' ' ' PRO . 7.3 mt -120.9 125.03 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.3 p -102.37 114.81 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . . . -154.47 149.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? 55.8 40.82 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.73 41.81 90.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -168.23 157.89 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 51.7 p -98.99 155.97 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.4 m95 -149.29 161.69 41.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 35' ' ' ILE . 6.5 m80 -81.33 137.53 48.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.757 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.76 -8.11 22.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.18 -27.28 9.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -92.64 -38.65 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.23 94.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.69 177.41 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.0 t -77.47 174.69 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.85 -24.57 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -109.86 -52.52 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.5 p -97.81 11.55 36.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 22.17 50.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.0 p-10 -103.17 159.81 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 60' ' ' THR . 4.1 t -53.66 118.18 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -109.74 41.37 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.35 -56.32 3.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -83.58 -45.13 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 ' HB2' ' A' ' 75' ' ' CYS . 9.8 pt -69.33 172.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.26 -176.38 43.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 14' ' ' GLN . 3.3 p90 -162.3 161.9 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.66 HG21 ' CD2' ' A' ' 79' ' ' TYR . 86.2 t -134.94 126.58 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -85.84 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -149.38 106.47 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm 56.29 39.65 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.45 45.52 11.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.45 125.87 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.6 mt -100.4 116.71 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.75 125.6 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.601 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.9 p -59.58 154.74 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.7 pt-20 -45.05 -36.26 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 17.9 mt -62.16 -53.59 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.77 -40.35 94.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.66 ' CD2' HG21 ' A' ' 67' ' ' VAL . 4.4 t80 -63.05 -66.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 84' ' ' ALA . 30.8 tp10 -49.59 -18.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -79.51 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -99.09 -57.49 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 12.5 m-85 -44.75 -63.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' GLU . . . -50.7 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.3 p -37.56 135.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.31 151.16 37.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.21 57.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.211 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.2 p 39.29 43.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.4 t -53.91 -49.79 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.433 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -92.56 128.04 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -153.22 131.86 12.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.01 -62.21 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -72.2 130.69 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -145.51 125.99 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.84 170.59 34.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.33 92.29 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -104.75 137.71 42.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -124.21 19.9 9.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -113.68 154.92 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' VAL . 4.4 mm? -67.89 -36.04 79.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 12' ' ' LEU . 79.5 t -34.19 124.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 30.2 mt-30 -111.74 -174.87 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -149.35 122.66 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.72 123.07 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -67.3 116.35 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -68.4 107.67 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG21 ' CE2' ' A' ' 39' ' ' PHE . 46.0 mm -94.93 125.16 51.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.57 27.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.333 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 150.54 44.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.1 -51.81 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -38.73 -60.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.33 153.82 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -131.59 66.79 79.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.69 155.69 65.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 tpt -76.35 122.48 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.77 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.13 -37.41 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -76.94 -66.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.2 -17.57 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 61.76 34.02 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -112.18 142.84 44.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.51 125.98 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.893 HG21 ' HB3' ' A' ' 39' ' ' PHE . 12.8 mt -89.24 115.01 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -83.51 -53.13 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.07 -154.07 6.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.19 37.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.893 ' HB3' HG21 ' A' ' 35' ' ' ILE . 35.8 p90 -130.27 172.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 49' ' ' PRO . 2.2 mt -117.63 125.34 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.87 111.94 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.87 23.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.6 mm? 42.35 35.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.22 39.1 97.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -164.1 175.05 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 25.8 p -112.74 159.37 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CD1' ' C ' ' A' ' 46' ' ' SER . 2.7 m95 -154.67 159.88 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -83.86 135.45 42.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.79 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -106.67 -25.41 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -99.85 -39.75 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -44.66 97.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -128.88 173.8 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 58' ' ' LYS . 4.3 t -77.65 172.53 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.72 -23.43 18.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -111.85 -54.74 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' O ' ' C ' ' A' ' 58' ' ' LYS . 15.9 p -94.16 10.33 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 21.47 53.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' CYS . 20.5 p-10 -106.0 161.16 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 60' ' ' THR . 9.7 t -59.6 112.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -102.94 38.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.13 -52.07 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -82.1 -50.47 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 75' ' ' CYS . 47.6 pt -68.99 175.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.65 -168.5 44.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 14.5 p90 -171.0 156.97 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.5 t -135.1 130.76 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -91.22 122.9 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -152.68 122.56 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt 59.11 44.25 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.47 53.33 46.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.86 142.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.6 123.69 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -119.8 126.56 51.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.621 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.4 p -62.1 146.24 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -39.32 -36.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 17.0 mt -60.94 -53.58 55.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.59 -51.45 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 83' ' ' PHE . 10.8 t80 -49.47 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.587 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 55.2 tt0 -52.83 -33.23 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -64.91 -47.02 79.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.42 -62.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' TYR . 11.4 m-85 -56.69 -63.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -76.86 69.03 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 p -168.06 128.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.69 -154.84 7.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 88' ' ' SER . 53.9 Cg_endo -69.75 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 87' ' ' PRO . 40.2 t -33.49 -46.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.9 t -143.35 161.8 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.475 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -103.47 165.16 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -108.43 167.3 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.63 94.91 1.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -95.93 101.38 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -145.2 162.2 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.72 -166.28 28.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.91 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -142.13 160.41 40.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -126.41 121.59 32.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -86.51 151.82 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' VAL . 16.0 mt -76.24 -37.0 58.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' LEU . 74.3 t -33.83 115.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 51.5 mt-30 -108.64 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -146.6 110.03 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.94 126.74 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.3 tp10 -70.35 120.4 15.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.72 124.81 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 39' ' ' PHE . 31.0 mm -111.12 123.28 35.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.08 22.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.52 161.15 29.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.97 73.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -127.69 -57.41 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 2.8 mtt-85 -140.61 140.1 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.3 p -132.95 61.73 57.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttm -91.03 116.75 29.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -45.63 169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . . . -108.18 -41.77 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.62 -63.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 p -82.72 -29.57 29.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.7 t30 69.59 42.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -120.45 133.25 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.36 125.06 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.846 HG21 ' HB3' ' A' ' 39' ' ' PHE . 40.5 mt -89.04 124.62 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -91.93 -54.75 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 -157.81 10.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.52 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HB3' HG21 ' A' ' 35' ' ' ILE . 20.4 p90 -126.11 179.64 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 49' ' ' PRO . 3.1 mt -121.35 120.65 35.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 17' ' ' GLU . 1.2 p -97.32 115.93 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.76 155.54 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 4.1 mm? 50.95 40.05 24.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.04 38.58 89.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.534 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 29' ' ' ALA . 29.0 mtmt -160.59 164.16 32.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 p -107.36 136.58 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 2.2 m95 -129.44 165.45 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 35' ' ' ILE . 5.6 m80 -88.39 140.34 30.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' HD11 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.82 -3.71 12.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.91 -34.54 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.4 pt-20 -84.74 -43.05 14.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 4.5 t80 -47.05 93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' GLU . 9.1 p30 -129.36 141.1 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.6 t -45.08 165.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.64 -16.89 25.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -108.84 -65.76 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.58 -17.3 60.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 55.75 51.15 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -122.18 156.58 33.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -61.07 125.94 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.505 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 1.1 mpp? -106.9 45.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.31 -53.03 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' O ' HG23 ' A' ' 64' ' ' ILE . 5.0 m-85 -98.6 43.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' TYR . 5.9 pt -160.71 -179.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.92 -178.05 37.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 14' ' ' GLN . 9.9 p90 -168.04 156.92 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.36 129.02 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE1' ' CD1' ' A' ' 43' ' ' LEU . 26.5 tt0 -87.53 134.0 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' CE2' ' A' ' 83' ' ' PHE . 19.7 tt0 -159.51 129.88 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? 38.6 44.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.62 52.52 33.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.36 131.48 5.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.29 118.8 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -111.24 125.43 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' LEU . 29.4 p -66.29 140.39 58.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 77' ' ' LEU . 5.9 pt-20 -34.61 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 29.2 mt -61.72 -54.4 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.83 -41.7 98.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 11.6 t80 -61.11 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 15.3 tp10 -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -73.67 -60.48 2.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.53 -60.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 17.0 m-85 -44.82 -34.51 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -109.09 86.02 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.5 m -73.71 122.64 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.91 -152.65 13.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.52 5.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 m -68.67 158.22 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -70.3 135.77 49.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.458 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -127.06 122.76 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -149.85 121.71 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.68 79.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -106.5 86.04 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -173.21 116.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.23 105.93 2.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.49 -24.79 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -141.57 173.62 11.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -158.57 119.26 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' LEU . 6.4 m -106.68 152.36 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.945 HD12 HG13 ' A' ' 67' ' ' VAL . 0.7 OUTLIER -35.94 -36.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' LEU . 97.8 t -33.62 125.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.42 162.93 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -128.31 115.76 18.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 125.91 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.45 120.87 10.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -74.47 110.39 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 39' ' ' PHE . 49.2 mm -99.33 127.53 34.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 177.44 5.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.614 2.209 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -81.68 147.13 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.64 -48.14 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -42.46 -48.72 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.299 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . 6.5 mtt-85 -157.83 141.72 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 35' ' ' ILE . 28.6 p -132.65 61.89 59.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.83 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.63 126.55 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.12 170.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . . . -101.53 -34.55 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CD2' ' OE2' ' A' ' 51' ' ' GLU . 13.5 t60 -83.4 -70.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -73.89 -22.32 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 60.49 42.94 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.27 137.65 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -41.05 140.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.899 HG21 ' HB3' ' A' ' 39' ' ' PHE . 19.0 mt -101.26 97.99 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.34 37.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -175.12 -159.91 22.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 125.9 12.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.396 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HB3' HG21 ' A' ' 35' ' ' ILE . 12.6 p90 -121.34 174.84 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 49' ' ' PRO . 1.1 mt -118.67 119.75 35.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -152.82 162.53 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.3 mm? 48.65 34.51 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.72 95.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -162.37 164.96 27.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.625 ' C ' ' CD1' ' A' ' 47' ' ' TRP . 52.3 p -104.41 154.97 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' A' ' 46' ' ' SER . 1.9 m95 -151.44 165.31 34.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 35' ' ' ILE . 10.0 m170 -87.2 138.85 32.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.723 ' HA ' HD11 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.79 -11.78 31.49 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.54 -21.67 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' OE2' ' CD2' ' A' ' 30' ' ' HIS . 18.0 tt0 -97.63 -43.76 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -45.49 97.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -132.95 162.86 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 1.8 t -63.1 177.32 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.42 -29.57 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -104.37 -58.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 54' ' ' CYS . 16.4 p -78.38 -11.85 59.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 40.58 49.61 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -113.72 149.13 35.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 60' ' ' THR . 9.1 t -46.4 117.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 41.8 mtm -106.77 39.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.01 -43.06 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.55 -45.71 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.724 HD12 ' HB2' ' A' ' 75' ' ' CYS . 37.6 pt -85.18 177.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.3 -164.75 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -166.63 158.2 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.945 HG13 HD12 ' A' ' 12' ' ' LEU . 89.6 t -128.01 130.28 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.94 132.67 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -160.61 123.14 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp 50.09 44.23 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.2 43.82 98.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.87 125.71 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.7 mt -92.29 123.88 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.01 125.51 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.724 ' HB2' HD12 ' A' ' 64' ' ' ILE . 28.4 p -57.62 163.92 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 77' ' ' LEU . 3.6 pm0 -51.73 -33.75 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.7 mt -64.5 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.427 ' O ' ' CD2' ' A' ' 82' ' ' PHE . 64.1 m -46.94 -47.6 21.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.663 ' CE2' ' CD2' ' A' ' 83' ' ' PHE . 9.5 t80 -55.62 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -52.33 -37.81 56.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -55.98 -43.8 77.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 78' ' ' CYS . 34.8 m-85 -100.05 -62.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.663 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 33.5 m-85 -48.24 -59.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.0 54.9 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -146.07 132.45 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.09 114.54 3.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.27 28.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.2 m -56.76 164.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -111.24 -50.32 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.519 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_