data_2nc2_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 2nc2 _Structure_validation_residue.Date_analyzed 2017-04-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.869 0.366 . . . . 71.54 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -79.39 -178.3 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.19 138.81 4.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 71.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.24 178.03 18.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 71.22 112.471 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -112.64 153.86 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 73.44 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 38.1 t -120.25 141.19 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 70.3 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 36.7 t -97.51 154.57 17.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.853 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.77 -54.84 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.914 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -38.12 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 65.12 110.902 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' O ' ' C ' ' A' ' 11' ' ' ASN . 91.0 m-70 -93.1 20.2 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.855 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.66 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.8 t30 -8.16 83.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.15 162.85 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.118 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 4.2 m -120.25 126.02 49.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -130.74 112.66 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 74.04 111.101 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -128.2 163.01 25.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 73.54 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -124.09 125.16 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.44 110.919 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 95.05 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.901 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.53 -95.32 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 73.33 112.477 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.71 28.48 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 64.22 112.479 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.26 145.25 26.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 74.44 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -98.71 153.3 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -129.48 168.2 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.4 133.8 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.23 111.129 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.84 149.87 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.54 111.136 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.24 145.78 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -100.34 121.81 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.89 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.99 70.2 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 60.54 112.478 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 62.6 p -77.53 123.75 27.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 74.12 110.857 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.82 -70.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 71.15 111.097 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.74 -69.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.62 -1.64 14.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 44.2 110.861 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 16.0 mmmt -65.59 -3.32 4.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.98 175.41 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.912 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -109.26 156.74 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.926 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -118.55 -17.12 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.872 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -128.28 126.49 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -81.53 -16.82 50.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.34 110.853 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -52.3 160.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.55 110.867 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.93 155.44 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.84 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -126.98 168.26 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.856 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -129.15 141.65 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -133.74 125.88 29.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.922 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.43 102.64 12.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.51 110.87 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.38 -34.52 74.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.877 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -25.54 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 63.23 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.49 -5.24 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.01 46.17 27.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -134.93 150.06 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 74.5 110.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -108.48 137.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 73.44 111.156 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -131.21 144.63 51.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 61.23 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 2.6 m -118.71 -166.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.877 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.85 108.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.56 151.86 71.02 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.607 0.718 . . . . 70.54 111.133 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 132.47 23.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 70.25 112.323 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.146 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.327 . . . . 74.44 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -113.63 169.94 8.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 72.02 110.881 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.36 137.53 5.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 63.31 112.454 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.35 174.23 19.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 60.33 112.505 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.19 154.21 28.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 73.31 110.888 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 30.9 t -119.93 141.48 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.33 154.7 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.88 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.34 -54.77 5.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 75.53 110.875 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -88.12 -44.91 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.662 ' O ' ' C ' ' A' ' 11' ' ' ASN . 38.6 m-70 -88.62 21.19 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.35 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.662 ' C ' ' O ' ' A' ' 10' ' ' HIS . 58.2 t30 -8.03 84.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.871 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -129.79 162.6 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 75.11 111.162 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m -120.27 126.11 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.875 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.7 m -130.15 111.74 12.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 62.33 111.15 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -127.54 151.36 48.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 65.34 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.36 127.49 51.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 74.44 110.952 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 94.78 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.909 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.71 -95.28 1.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 70.4 112.461 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.29 31.19 2.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.65 140.73 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 74.31 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.83 145.29 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.921 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -126.03 130.17 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.42 110.872 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 p -104.43 136.01 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 62.32 111.121 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.96 155.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 72.13 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 145.71 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.35 110.883 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -101.06 123.13 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.885 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.52 72.36 2.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.76 . . . . 60.12 112.443 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 57.9 p -80.11 124.54 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 64.21 110.89 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.88 -70.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.126 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.52 -69.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.34 111.074 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.3 -1.86 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 47.4 mmtt -64.62 -3.94 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.915 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 3.8 pttp -83.7 175.9 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.945 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.84 157.14 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.19 -17.15 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.85 127.32 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 65.4 110.834 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.8 p-10 -63.54 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 72.11 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -16.96 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.04 110.88 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -51.84 160.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.88 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.96 154.81 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.863 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.58 168.19 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.907 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -129.29 140.42 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.924 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -132.91 120.42 21.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.929 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.5 102.84 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.876 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 64.13 110.869 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.6 60.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.865 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -4.52 26.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.01 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp 50.86 40.03 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.905 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -134.76 153.34 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.3 t -108.08 141.52 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.44 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -132.0 144.6 50.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 73.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.0 m -120.73 -166.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.906 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.97 107.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.91 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.61 151.76 70.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 75.42 111.153 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.36 23.16 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 74.41 112.393 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.21 111.161 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 73.2 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -113.08 176.76 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.18 139.29 6.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.684 -0.769 . . . . 62.04 112.465 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.76 178.62 17.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 72.42 112.45 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.6 154.25 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 75.33 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 14.6 t -119.13 140.89 49.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -97.36 154.46 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.44 110.9 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.48 -55.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 73.11 110.918 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -89.24 -45.64 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.33 110.881 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.661 ' O ' ' C ' ' A' ' 11' ' ' ASN . 14.3 m-70 -90.2 22.57 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.842 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.661 ' C ' ' O ' ' A' ' 10' ' ' HIS . 24.0 p-10 -8.04 85.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.916 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -128.12 161.15 29.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 72.31 111.14 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -119.91 125.33 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.867 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.3 m -128.07 112.74 14.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 73.04 111.132 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -131.55 159.91 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.964 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.13 129.67 51.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -113.28 94.55 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.58 -94.97 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 74.15 112.467 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.56 28.03 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 62.45 112.505 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.28 147.82 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 71.44 110.901 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -102.37 149.02 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.874 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -123.49 167.68 13.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.849 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.52 135.45 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.16 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.82 146.63 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.41 111.14 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.73 147.31 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.897 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.72 123.59 43.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.839 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.82 58.12 4.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.458 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.3 m -62.41 124.12 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 63.2 110.894 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.6 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.54 111.125 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.28 -69.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 72.01 111.128 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.09 -1.44 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.32 110.93 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 33.4 mmtm -63.86 -4.27 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.885 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.64 174.17 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.893 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.7 158.07 17.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 61.53 110.908 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.4 -17.01 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.94 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.3 127.94 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.873 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' CYS . 10.0 p-10 -64.22 -29.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.82 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.0 -14.79 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -54.2 161.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.4 156.08 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.901 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -129.45 170.79 13.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.914 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.58 141.31 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -127.29 127.91 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.923 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -85.25 94.16 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 74.15 110.864 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.85 -21.95 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.25 110.91 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -82.72 -31.72 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.863 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -101.03 -6.21 24.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.876 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt 60.12 38.92 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.856 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.22 154.27 46.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -106.93 141.39 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.097 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -132.06 144.95 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 m -122.06 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.72 108.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 74.12 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.4 151.86 70.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 73.33 111.107 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.3 23.12 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 74.02 112.381 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 65.51 111.136 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.788 0.328 . . . . 74.4 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -103.07 175.75 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 64.43 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.87 136.78 5.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.727 . . . . 60.42 112.516 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 175.72 17.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 75.21 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.81 152.32 29.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 73.12 110.839 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 47.9 t -120.9 141.16 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.869 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -96.86 154.79 17.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 75.31 110.835 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.79 -53.53 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -38.33 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.922 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 11' ' ' ASN . 91.6 m-70 -92.72 19.89 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.65 ' C ' ' O ' ' A' ' 10' ' ' HIS . 50.3 t30 -8.99 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.917 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -131.58 163.55 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.03 111.165 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.1 m -117.63 128.19 54.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.878 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.2 m -132.7 113.87 13.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -133.43 163.02 30.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.893 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -119.15 129.67 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.949 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 94.35 4.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.9 -94.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.81 24.08 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 62.45 112.508 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.12 152.52 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 75.41 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -99.44 153.59 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.857 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -131.78 164.42 26.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.847 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 t -116.32 137.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 71.53 111.17 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -143.08 147.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.116 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.64 138.84 37.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -98.04 122.47 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 64.23 110.886 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.87 64.35 4.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 63.6 p -69.12 124.49 23.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 72.44 110.89 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.22 -70.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.114 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.96 -69.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.071 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.6 -1.83 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 7.8 mmtp -65.24 -3.19 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.98 176.0 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.93 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.65 156.25 19.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -118.42 -16.1 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.16 125.85 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.841 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.71 -29.09 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 62.52 110.843 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mmt-85 -82.35 -16.22 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.896 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -53.13 158.96 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.838 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 156.08 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.855 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.12 169.04 13.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.2 110.932 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -129.33 141.63 51.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -129.87 126.75 38.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 62.35 110.864 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -85.13 96.82 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.86 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.82 -25.59 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 70.52 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.24 -30.08 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.87 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.69 -0.52 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 51.69 44.32 29.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -134.65 153.17 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.914 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -109.88 140.4 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.52 111.122 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -132.41 144.9 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.54 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -118.08 -166.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 71.13 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.85 106.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 75.25 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.39 151.35 72.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.696 . . . . 70.51 111.163 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 132.2 22.94 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.68 2.254 . . . . 75.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 62.14 111.175 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 75.43 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -91.93 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.858 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.13 138.69 6.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 72.24 112.527 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.59 -177.01 14.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 74.41 112.468 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -121.35 153.36 37.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 74.2 110.892 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 29.2 t -120.24 141.1 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.24 110.877 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.19 157.19 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.829 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.62 -53.89 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 71.54 110.881 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -46.37 8.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.856 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.661 ' O ' ' C ' ' A' ' 11' ' ' ASN . 34.6 m-70 -89.48 22.22 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 74.44 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.661 ' C ' ' O ' ' A' ' 10' ' ' HIS . 22.6 p-10 -10.14 85.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.913 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -128.23 161.67 28.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.154 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 24' ' ' VAL . 15.6 m -118.66 127.17 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 65.25 110.86 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -130.63 111.92 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.084 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.2 158.73 39.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.926 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -122.87 130.21 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.79 94.52 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.914 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.78 -94.88 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 70.43 112.433 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 28.18 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 31.21 112.471 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.39 147.21 28.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 63.32 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -102.01 144.69 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.94 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -117.69 167.69 11.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.04 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.9 133.07 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.3 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -146.71 147.19 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 75.05 111.113 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -97.53 145.1 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.912 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.423 ' N ' HD22 ' A' ' 25' ' ' ASN . 1.1 m -96.85 122.66 40.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.34 110.919 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.44 62.78 4.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 71.42 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 78.5 p -66.87 124.15 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 74.32 110.83 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.11 -70.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.06 -69.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.24 111.14 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -1.23 13.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 18.0 mmtp -64.73 -4.33 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.903 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.09 175.15 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.881 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.15 157.59 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.872 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.78 -16.07 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.52 110.922 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.4 126.14 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 70.23 110.9 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' CYS . 16.2 p-10 -62.7 -29.84 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -82.66 -16.5 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.889 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -51.91 160.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.868 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.76 156.33 18.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 71.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -127.42 170.34 12.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.88 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -129.65 141.62 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 71.24 110.932 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -131.13 121.63 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 70.12 110.932 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -84.54 101.68 12.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.855 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.31 -37.25 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.899 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -30.4 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.85 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -102.11 -4.5 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.843 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 49.21 20.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.23 110.902 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 153.51 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.09 140.1 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.53 111.157 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -132.3 144.49 50.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.893 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 6.9 m -120.7 -166.37 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 62.13 110.898 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 106.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.901 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.89 151.35 71.12 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.701 . . . . 74.23 111.185 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.3 23.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 73.2 112.291 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.151 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.845 0.355 . . . . 71.23 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -87.31 174.53 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.64 138.17 6.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 73.24 112.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 175.88 18.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 61.32 112.484 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -115.38 153.11 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 51.25 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 28.4 t -120.26 141.12 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 60.15 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.4 155.82 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.881 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.41 -53.77 6.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 74.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -88.05 -45.31 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.91 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.657 ' O ' ' C ' ' A' ' 11' ' ' ASN . 36.3 m-70 -88.17 20.77 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.825 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.657 ' C ' ' O ' ' A' ' 10' ' ' HIS . 55.6 t30 -8.64 83.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.887 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -131.15 163.12 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 62.42 111.11 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 8.3 m -118.96 126.66 52.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -130.72 113.7 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.132 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -131.99 148.22 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.57 134.52 55.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.965 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -121.57 94.85 4.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.912 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.7 -95.88 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 74.55 112.518 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.35 30.43 2.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.2 112.483 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.46 141.99 25.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 61.3 110.867 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.15 140.97 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.899 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -119.39 128.5 54.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.03 135.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 71.22 111.133 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.92 152.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.23 111.148 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.75 146.66 24.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 44.11 110.931 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -102.15 123.22 45.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.954 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.88 72.18 2.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 75.22 112.471 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 56.3 p -79.91 124.65 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 61.04 110.841 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.81 -71.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 61.2 111.138 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.39 -70.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.08 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.19 -2.0 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.4 110.878 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 19.6 mmtp -64.44 -4.07 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 55.53 110.914 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -83.71 176.09 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.897 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.7 156.87 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 54.42 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -118.91 -15.22 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 73.24 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 125.92 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.83 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.6 t70 -62.75 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 70.44 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.25 -16.48 49.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.01 110.867 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -51.88 160.05 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.875 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.31 155.84 18.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.55 110.833 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -127.53 168.33 15.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.875 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -129.12 141.07 51.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.892 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -129.58 124.08 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.65 100.62 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.887 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -68.13 -42.94 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -22.05 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.862 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.07 -5.89 20.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.88 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt 53.4 43.53 31.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -134.95 153.53 52.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.853 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -108.41 140.31 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.116 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.98 145.39 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.815 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -120.71 -166.28 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.875 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.11 107.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.85 151.66 71.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.515 0.674 . . . . 65.4 111.163 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 132.4 23.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 75.21 112.381 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.149 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.83 0.348 . . . . 74.12 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.479 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.2 p90 -100.68 -1.81 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.884 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.6 135.2 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 74.4 112.515 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.41 -179.78 16.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 74.21 112.493 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -112.61 153.58 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 73.44 110.885 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 29.1 t -120.49 141.54 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -99.55 155.74 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.817 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.07 -54.93 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.899 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -39.62 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.1 110.881 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.652 ' O ' ' C ' ' A' ' 11' ' ' ASN . 92.6 m-70 -92.14 20.13 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.15 110.854 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.652 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.0 t30 -9.01 82.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.891 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.42 163.19 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.168 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.5 m -119.27 128.45 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.883 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.1 m -130.54 113.35 14.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.44 111.146 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -127.53 163.76 23.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 70.54 110.954 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -125.08 120.35 31.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 72.5 110.938 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 94.8 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.925 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.21 -94.35 1.79 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 73.41 112.502 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.38 29.28 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 75.15 112.512 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.09 140.29 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 74.31 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -93.63 153.73 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.915 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -130.32 168.45 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.862 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -130.88 129.89 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.108 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.03 150.53 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.133 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 146.2 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -101.06 122.72 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 64.42 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.62 71.97 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 61.14 112.471 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 64.0 p -79.9 124.03 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 75.02 110.879 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.98 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 61.34 111.124 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.28 -69.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 61.21 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.45 -1.79 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.86 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 21.6 mmtt -64.73 -3.91 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.867 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.58 175.9 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.896 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.71 157.26 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.902 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 -15.46 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.892 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.55 124.51 38.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 65.23 110.822 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' CYS . 11.6 p-10 -62.03 -30.6 71.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.899 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.34 -16.69 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.854 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -51.61 160.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 65.13 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 155.36 19.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.02 110.847 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.65 170.0 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 62.44 110.888 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -128.77 141.28 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -134.56 123.67 24.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -85.0 98.87 10.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 62.3 110.873 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.09 -24.95 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -81.6 -30.28 32.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.45 110.853 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -3.77 33.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 53.22 110.903 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 54.39 44.94 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.2 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.82 152.87 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.858 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -110.14 140.12 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.28 144.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.77 -165.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.821 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.88 108.04 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.939 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.72 151.83 71.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 73.44 111.174 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 132.41 23.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 62.15 112.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.131 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.839 0.352 . . . . 74.24 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.0 p90 -99.08 -2.31 37.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.83 134.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 64.42 112.47 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.35 -179.54 16.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 63.41 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -112.45 152.59 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.382 . . . . 72.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 36.2 t -121.51 141.45 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -97.47 154.65 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.865 -179.835 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.6 -53.77 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -44.6 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.882 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 37.9 m-70 -88.87 21.27 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 53.1 t30 -8.51 84.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.35 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.5 163.1 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.14 111.13 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -118.45 126.36 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.899 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -130.6 114.28 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 71.12 111.119 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -129.25 167.51 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -125.33 127.75 47.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 72.14 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.04 94.92 5.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.933 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.28 -95.17 1.58 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 73.41 112.468 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.84 26.63 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 73.44 112.522 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.98 151.02 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.52 110.892 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -102.21 153.59 19.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.936 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -132.53 167.87 19.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 t -116.68 137.29 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.096 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.86 149.08 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.21 111.117 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.36 139.36 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 72.04 110.884 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -99.11 121.94 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.892 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.63 68.95 3.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 62.42 112.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 65.5 p -74.11 124.4 26.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 74.43 110.859 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.433 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.44 -70.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 75.45 111.097 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.03 -69.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.65 -1.8 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.861 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 2.7 mmtp -65.5 -2.96 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.853 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 1.5 pttt -83.83 176.02 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.22 157.04 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.884 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -16.54 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.927 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.87 127.77 42.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 55.33 110.872 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.4 t70 -63.23 -30.23 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 71.32 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -81.79 -16.22 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.873 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -52.02 158.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 64.33 110.865 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 155.21 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.855 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -125.71 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.848 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -129.0 141.66 51.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.32 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -139.93 124.17 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 74.52 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 71.45 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.43 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -21.78 40.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 72.2 110.859 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.48 -4.51 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.884 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 49.98 41.26 22.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.83 145.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.86 139.74 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.134 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.56 144.71 50.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 65.41 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.0 m -115.92 -166.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.15 106.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 65.45 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.55 151.64 73.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.495 0.664 . . . . 71.14 111.176 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 132.34 23.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 64.21 112.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.115 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.781 0.324 . . . . 73.3 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.5 p90 -100.03 -1.49 36.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.877 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.37 135.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 74.22 112.469 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.13 -178.07 15.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 65.23 112.482 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.69 154.05 26.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 64.15 110.899 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 25.3 t -119.84 141.5 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.33 110.849 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -98.04 154.35 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.867 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.48 -55.37 4.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -37.12 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.877 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 85.3 m-70 -94.52 21.0 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.845 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 60.4 t30 -7.82 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.92 162.64 29.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.177 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -120.1 128.42 53.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 m -130.41 113.81 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.152 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -128.12 166.27 18.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -126.27 120.0 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.06 94.51 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.9 -94.24 1.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.764 . . . . 74.54 112.508 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.91 28.1 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 53.41 112.451 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.85 141.69 24.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 74.45 110.884 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -95.17 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -131.07 168.37 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.863 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -128.17 133.28 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.116 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.43 149.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.42 111.133 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.87 149.18 21.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -104.09 122.32 45.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 72.11 110.887 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.41 73.95 2.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 74.33 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 60.8 p -81.85 124.0 29.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 35.3 110.87 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.18 -70.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.136 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.16 -70.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.21 111.144 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.55 -1.16 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.888 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 34.4 mmtm -65.26 -3.77 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.901 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 175.44 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.883 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.34 156.74 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.94 -17.6 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.95 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -128.17 127.42 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' CYS . 9.6 t70 -63.6 -27.87 69.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.852 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -82.17 -16.55 49.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.903 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -52.18 158.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.844 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.08 156.25 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -130.57 170.52 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.906 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -130.51 143.64 50.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -137.7 126.7 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.907 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.74 106.71 16.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 73.52 110.835 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.5 -34.71 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -21.46 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 65.3 110.824 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -99.46 -4.99 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.86 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 48.88 40.46 16.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.81 143.87 47.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.873 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.22 141.82 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 72.43 111.133 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.79 145.52 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.44 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.6 m -116.69 -165.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.902 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.39 107.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.922 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.2 151.2 65.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 75.42 111.142 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.2 22.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.739 2.293 . . . . 65.51 112.313 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.34 111.142 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.35 . . . . 64.1 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.7 p90 -99.77 -1.42 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.89 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.17 135.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 65.22 112.499 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.33 -177.1 15.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 71.25 112.511 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -112.69 154.5 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 75.4 110.857 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 21.6 t -119.7 140.98 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.878 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 44.9 t -97.46 155.99 16.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.874 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.44 -55.29 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.899 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.913 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.669 ' O ' ' C ' ' A' ' 11' ' ' ASN . 74.2 m-70 -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.878 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.669 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.5 p-10 -8.0 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.842 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -127.5 160.56 31.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.55 111.153 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' HB2' HG13 ' A' ' 50' ' ' VAL . 4.3 m -120.09 125.67 48.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 55.13 110.875 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.0 m -125.66 111.66 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.21 111.171 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -126.15 162.94 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.923 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.19 119.0 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 75.41 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.14 94.89 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.873 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.14 -94.28 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 74.11 112.472 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.07 29.52 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 71.1 112.505 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.16 139.89 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 74.24 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -93.43 153.79 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -129.76 168.77 16.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.869 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -132.0 129.64 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.41 111.096 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.99 149.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.55 111.1 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -95.56 148.7 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' HD22 ' A' ' 25' ' ' ASN . 1.0 OUTLIER -100.94 123.0 44.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 74.05 110.876 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.04 67.6 3.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 73.32 112.52 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 72.9 p -73.26 124.22 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 70.54 110.865 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.9 -70.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.099 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.5 -69.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.078 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.63 -0.89 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.5 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 2.9 mmtp -64.74 -4.53 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.922 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.1 OUTLIER -82.22 174.25 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.35 110.872 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.7 157.46 19.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 65.1 110.873 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -18.95 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -127.83 129.55 47.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.821 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.2 p-10 -64.5 -27.13 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 64.45 110.87 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -82.49 -16.72 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -50.94 159.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 73.24 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.49 156.16 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 71.42 110.838 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -131.96 170.77 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.858 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -130.67 143.65 50.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -139.56 125.66 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.957 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.73 108.6 17.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -32.83 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 65.25 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -23.99 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 61.13 110.865 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.57 -4.9 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 73.24 110.813 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.39 44.83 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 142.02 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.25 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -106.02 139.81 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.54 111.127 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.73 145.44 51.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.907 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.9 m -117.18 -165.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.31 107.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 151.31 64.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.563 0.697 . . . . 73.54 111.123 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 132.3 22.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 54.02 112.325 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.1 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.832 0.348 . . . . 73.04 110.892 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.6 p90 -98.58 -1.33 41.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.871 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.44 135.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 73.12 112.472 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.55 -179.35 15.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 54.45 112.541 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -112.63 153.38 27.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 74.43 110.897 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 19.6 t -120.36 141.56 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.48 155.16 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 75.54 110.86 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.54 -53.87 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 70.11 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -87.37 -44.84 11.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 70.15 110.951 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 33.6 m-70 -89.03 20.66 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.88 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 30.5 t30 -8.32 84.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 61.12 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.51 163.67 26.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.41 111.165 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.9 m -119.58 120.75 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.881 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -123.68 113.37 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.05 111.135 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.4 160.33 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -124.34 120.36 31.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.963 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 94.82 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.845 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.25 -94.67 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 74.5 112.464 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.17 30.49 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 72.34 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -149.32 140.48 23.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 74.54 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -90.28 153.91 20.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.883 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -139.95 133.64 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.874 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -105.19 135.14 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.3 111.108 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -142.32 150.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.22 111.123 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 139.7 30.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -97.71 122.44 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 75.32 110.902 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.51 83.85 1.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 65.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 16.2 m -90.6 125.83 35.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 52.04 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.42 -69.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.151 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.58 -70.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 111.13 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.22 1.53 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.889 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 12.3 mmtp -63.45 -6.14 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.906 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 5.8 pttp -83.02 176.3 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.875 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.08 157.43 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.859 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -118.7 -14.38 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.948 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.22 127.42 41.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.852 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.5 p-10 -62.92 -29.69 70.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.64 -17.05 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.899 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -52.07 159.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.61 155.02 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.26 169.64 12.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.864 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.96 141.25 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.855 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -136.59 122.59 20.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 74.52 110.932 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.59 103.22 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.9 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.38 -32.72 74.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.896 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.76 -21.49 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.885 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.45 -4.49 28.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 72.34 110.898 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp 50.14 40.81 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.27 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -109.99 139.58 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -132.05 144.68 50.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.51 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.0 m -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.22 110.86 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.65 108.05 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 60.32 110.924 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.07 151.93 69.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 73.22 111.145 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 132.36 23.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 71.43 112.35 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 71.1 111.13 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.823 0.344 . . . . 74.34 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.8 173.93 11.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.11 137.95 6.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 74.32 112.516 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.37 175.2 19.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 74.34 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -113.03 153.1 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 75.22 110.913 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 47.0 t -120.51 140.23 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.32 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -96.96 155.94 16.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.871 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -80.71 -52.82 7.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 73.14 110.891 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.79 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.906 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 11' ' ' ASN . 32.6 m-70 -87.89 20.66 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 65.33 110.864 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.658 ' C ' ' O ' ' A' ' 10' ' ' HIS . 56.7 t30 -8.57 82.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.3 110.921 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -132.01 162.65 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.127 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 m -119.5 128.26 53.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -131.1 113.89 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.186 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -129.47 154.95 46.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 72.24 110.933 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.87 131.35 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.955 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -115.3 95.18 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.07 -95.98 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 71.31 112.492 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.41 28.1 3.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 72.5 112.465 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.86 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 74.52 110.915 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -103.7 144.17 31.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 70.04 110.918 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -117.31 167.64 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.847 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -130.89 131.7 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.075 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.2 146.92 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.01 111.153 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.69 148.2 22.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.841 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 121.75 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.878 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.11 65.96 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.435 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 64.8 p -72.4 124.22 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 62.34 110.862 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.42 -70.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.08 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.93 -69.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 71.35 111.102 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -1.5 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.922 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 12.3 mmmt -65.71 -3.02 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.915 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.6 175.71 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.875 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.81 156.26 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 55.42 110.895 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -117.81 -17.11 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.882 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.87 126.73 40.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.816 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 6' ' ' CYS . 2.7 t70 -61.82 -27.98 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 73.15 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -83.44 -16.06 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.875 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.1 156.43 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.55 156.61 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.851 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 23.6 p -135.56 172.98 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.87 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -128.07 158.3 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -142.38 123.84 14.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 74.03 110.975 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.65 101.01 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 70.42 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -67.64 -42.62 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.851 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -21.93 64.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -104.89 -4.19 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.881 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.13 44.04 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.89 150.22 50.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -110.58 139.4 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 54.21 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -130.43 145.73 51.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.888 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 41' ' ' CYS . 4.6 m -119.42 -165.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.22 110.868 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 107.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.913 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.72 150.52 65.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 73.21 111.133 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.16 22.8 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 74.42 112.329 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.54 111.128 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 73.22 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -95.91 174.37 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.892 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.78 138.03 4.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 75.24 112.488 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.3 179.06 17.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 64.42 112.505 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.5 153.97 26.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.379 . . . . 74.24 110.89 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 26.5 t -120.09 141.56 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.891 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.16 154.01 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.845 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.28 -54.41 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.939 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -88.17 -44.79 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.905 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.663 ' O ' ' C ' ' A' ' 11' ' ' ASN . 19.3 m-70 -88.86 21.21 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.872 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' C ' ' O ' ' A' ' 10' ' ' HIS . 59.8 t30 -7.67 84.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.02 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.01 162.78 27.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 64.42 111.145 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 m -119.98 127.24 52.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.872 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.6 m -130.64 112.55 13.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.14 111.131 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -129.55 165.82 20.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 74.43 110.93 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.12 126.01 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.49 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.24 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.12 -95.08 1.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 71.13 112.522 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.12 27.14 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 73.43 112.452 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.09 149.5 31.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 72.43 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -101.51 153.63 19.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -129.76 167.93 17.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 63.44 110.833 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -127.97 132.8 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 74.12 111.156 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.35 153.31 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.34 24.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -100.82 121.37 41.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.853 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.7 69.93 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 73.43 112.482 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.569 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 80.0 p -73.29 122.45 22.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.923 0.392 . . . . 70.45 110.83 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.45 -69.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.13 111.102 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.03 -68.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -1.5 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -64.49 -3.85 3.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.919 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -81.8 173.53 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.864 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 1.2 m -109.94 155.73 21.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -18.43 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.929 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.85 128.12 44.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.815 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.0 p-10 -63.91 -29.13 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.864 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -16.49 51.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.862 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.27 164.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.875 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -109.11 157.04 19.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.871 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -130.03 167.21 18.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -128.8 139.9 51.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -128.0 126.16 40.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.957 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -83.45 97.0 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 53.33 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.85 -23.6 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.878 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.3 -30.31 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.826 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.6 -6.98 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.03 110.811 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt 59.88 37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.44 110.91 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.48 153.21 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 65.15 110.854 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.81 137.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.148 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.66 145.86 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.856 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.9 m -116.29 -167.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 62.51 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 2.4 pp0? -65.89 112.3 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.57 152.47 74.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 73.12 111.128 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.34 23.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 75.3 112.365 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.111 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.338 . . . . 75.31 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.3 p90 -101.24 -1.29 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.884 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.62 135.53 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.32 112.483 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.42 -177.18 15.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 71.4 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -112.28 153.81 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 74.35 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 20.0 t -120.12 141.16 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -98.3 154.88 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.874 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.9 -55.49 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.25 110.876 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -89.38 -45.65 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.33 110.853 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.664 ' O ' ' C ' ' A' ' 11' ' ' ASN . 11.2 m-70 -90.87 23.08 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.837 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.664 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.0 p-10 -8.88 87.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.852 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -126.29 161.15 28.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 62.31 111.122 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 m -120.35 120.38 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 60.51 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m -121.29 111.16 17.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -127.45 161.23 29.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -126.15 118.31 24.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 94.62 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.38 -94.01 1.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 53.04 112.468 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.2 29.93 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.475 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 140.77 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 75.52 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.23 154.8 19.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.31 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -135.95 133.92 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.872 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -105.11 130.52 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 71.03 111.122 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.96 151.92 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.117 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -94.42 146.34 24.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.936 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.419 ' N ' HD22 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -99.37 122.87 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.868 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.5 68.27 3.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 73.11 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 p -74.82 124.11 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 73.23 110.837 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.2 -70.47 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.11 111.099 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.9 -69.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.078 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.37 -1.84 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 11.0 mmtm -64.21 -4.7 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.2 175.18 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.9 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.892 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.76 -19.03 10.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.892 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -126.98 128.59 46.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.1 t70 -64.44 -29.99 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.04 110.898 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -16.58 51.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.856 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -51.71 161.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.888 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.55 155.17 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.844 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.44 170.72 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.904 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -129.19 141.03 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.91 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -136.66 122.77 20.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.956 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -84.45 102.4 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.844 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.72 -30.22 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.876 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -25.28 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -4.54 27.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.89 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 44.46 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.85 150.74 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -108.91 138.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.086 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -131.97 144.55 50.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 75.34 110.853 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m -121.28 -165.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.14 110.874 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 106.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.11 151.43 71.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.561 0.696 . . . . 74.24 111.178 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 132.45 23.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 74.32 112.325 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.13 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 75.42 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.483 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.3 p90 -100.22 -1.36 36.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 73.22 110.929 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.29 135.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 64.23 112.507 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.94 -175.49 15.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.56 153.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 74.14 110.928 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 17.9 t -120.73 140.71 51.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -98.06 155.65 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.52 110.86 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.71 -56.04 4.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.947 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.69 -41.25 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.86 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' ASN . 79.7 m-70 -93.68 21.86 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.851 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.9 p-10 -8.3 85.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 74.22 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -126.65 161.94 26.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 64.31 111.134 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.72 124.61 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 61.12 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -125.36 110.84 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.127 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -127.83 166.25 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -126.66 118.98 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HZ1' ' N ' ' A' ' 18' ' ' GLY . 0.6 OUTLIER -100.76 94.58 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 73.03 110.929 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' N ' ' HZ1' ' A' ' 17' ' ' LYS . . . 93.98 -94.13 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 65.42 112.502 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.15 28.23 3.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 74.43 112.507 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -149.6 142.36 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 74.2 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.64 153.44 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -129.63 168.66 16.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -130.12 130.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.09 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.43 152.48 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -98.28 146.79 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.944 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' N ' HD22 ' A' ' 25' ' ' ASN . 1.1 m -99.62 123.26 43.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.87 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.36 67.47 3.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.456 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.517 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 70.3 p -72.91 124.53 25.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 72.1 110.892 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.37 -70.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.05 111.09 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.61 -69.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 72.41 111.105 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.45 -1.06 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.896 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 32.2 mmtm -64.55 -4.43 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.878 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 174.78 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.1 110.918 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.26 159.16 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 74.05 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -17.2 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.34 110.88 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -126.3 125.47 42.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 73.42 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' CYS . 2.1 t70 -63.69 -31.37 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 62.11 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -81.62 -16.33 51.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 71.3 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -51.87 166.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 75.05 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' H ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -109.31 156.83 19.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.864 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.78 171.62 12.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.831 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -128.32 141.58 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.952 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -137.43 123.07 19.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.932 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.93 103.74 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.911 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -65.27 -34.39 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.872 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -21.54 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.15 110.881 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -98.61 -4.88 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.848 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp 49.33 39.62 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.61 153.14 52.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.44 141.19 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.141 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.44 145.08 50.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 6.6 m -121.77 -165.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.883 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 108.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.54 110.887 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.82 151.99 71.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 74.34 111.126 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.739 2.293 . . . . 62.21 112.351 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.121 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 73.15 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 16.0 p90 -84.76 174.64 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.89 139.22 6.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.492 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.08 -179.57 16.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 52.12 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.96 152.8 33.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 63.55 110.883 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 34.3 t -120.44 141.3 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.881 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.16 155.56 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.867 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tp -81.18 -53.44 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.952 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -88.12 -45.16 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 11' ' ' ASN . 64.8 m-70 -88.08 20.82 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.897 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.658 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.1 t30 -8.61 83.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.882 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.79 163.05 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.12 111.14 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 10.6 m -119.13 127.25 53.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.877 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -131.02 113.67 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 75.32 111.106 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' HB2' ' CD2' ' A' ' 2' ' ' PHE . 5.6 p90 -132.79 148.82 52.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -122.02 135.32 54.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.927 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -123.17 94.84 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.881 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.2 -95.48 1.05 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 74.03 112.509 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.34 29.84 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 72.03 112.463 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.67 142.7 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.11 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.17 141.24 29.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -118.94 128.77 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.87 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -104.83 134.43 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 71.3 111.146 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.19 155.65 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.118 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.91 146.49 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.903 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -100.86 121.73 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 55.31 110.857 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.04 69.76 2.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 52.41 112.493 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 80.2 p -73.57 122.54 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 64.25 110.876 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.29 -69.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.1 111.109 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.14 -68.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 64.15 111.077 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 -1.88 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -64.21 -3.93 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.53 110.885 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -81.85 174.0 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.877 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 1.2 m -109.49 155.12 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.85 -17.98 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.888 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -127.52 127.03 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.7 t70 -62.42 -28.64 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.835 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -16.83 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.856 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -51.93 159.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.63 156.06 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.88 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -127.47 167.46 16.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.909 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.19 139.98 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.895 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -128.41 124.34 36.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.89 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.85 101.75 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 75.51 110.852 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.74 -42.82 81.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -22.01 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 71.14 110.865 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -104.62 -4.33 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.851 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 50.58 43.59 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -135.11 152.7 51.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.896 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -108.87 136.95 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.05 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -131.98 145.98 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.3 110.872 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.4 m -115.87 -167.61 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.842 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 2.5 pp0? -66.05 112.26 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 75.5 110.891 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 152.56 73.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 71.42 111.144 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 132.47 23.44 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.671 2.247 . . . . 74.12 112.372 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.161 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.329 . . . . 74.2 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.492 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.6 p90 -102.28 -1.62 30.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.19 135.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 61.12 112.51 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 -178.71 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 72.12 112.455 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -112.73 153.04 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 74.02 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 35.7 t -120.88 141.34 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.837 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -97.3 154.39 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 75.41 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.71 -54.93 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -36.74 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.895 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.653 ' O ' ' C ' ' A' ' 11' ' ' ASN . 85.1 m-70 -94.51 20.93 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.856 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.653 ' C ' ' O ' ' A' ' 10' ' ' HIS . 58.4 t30 -8.39 84.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.921 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.33 163.09 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.142 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -119.8 125.18 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.857 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -127.78 112.3 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.33 111.133 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -126.62 160.91 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.34 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -124.45 118.0 25.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -102.01 94.71 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.22 -93.68 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.496 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.42 31.79 2.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.484 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -149.2 136.01 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 73.01 110.889 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.39 133.47 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.901 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -115.24 168.14 10.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 64.53 110.856 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -130.24 135.27 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.141 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.15 155.72 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.135 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.66 142.71 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.897 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -99.39 122.36 42.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.882 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.19 70.44 2.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 55.32 112.516 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 61.6 p -78.25 124.2 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 72.32 110.857 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.43 -71.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.54 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.63 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 62.21 111.106 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.27 -1.95 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.51 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 14.7 mmtm -65.06 -3.57 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.79 176.42 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 61.54 110.909 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.18 157.22 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.54 110.887 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.74 -17.64 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.32 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.91 127.4 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.839 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' CYS . 12.2 p-10 -63.29 -30.01 71.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.2 110.851 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -16.55 51.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.847 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -52.35 160.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 75.25 110.832 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.73 155.61 19.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.822 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.97 169.83 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.877 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -128.39 141.59 51.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.911 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -137.41 128.14 27.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.947 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -83.92 105.03 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.16 -39.09 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.897 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -80.86 -20.11 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.887 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.26 -7.0 21.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.822 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.7 48.62 22.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.856 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -134.47 146.78 50.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.3 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.94 134.13 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.11 111.107 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -131.51 144.82 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.41 -166.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.863 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.49 106.35 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.924 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.44 151.23 72.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 72.45 111.141 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.32 23.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.685 2.257 . . . . 73.44 112.352 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 75.45 111.123 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 71.43 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -85.11 175.77 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.895 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.11 144.67 12.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 61.42 112.475 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 179.56 17.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 74.42 112.507 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -117.07 153.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 63.4 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 20.0 t -121.11 140.19 52.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.924 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.8 t -97.32 154.48 17.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.842 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -81.26 -55.06 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -38.11 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.886 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.669 ' O ' ' C ' ' A' ' 11' ' ' ASN . 83.0 m-70 -93.25 20.62 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.669 ' C ' ' O ' ' A' ' 10' ' ' HIS . 64.4 t30 -6.95 83.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.899 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.7 162.71 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.44 111.147 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -119.89 127.61 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.892 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 m -130.31 113.55 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.24 111.159 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -135.13 150.82 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -124.49 129.88 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 73.01 110.933 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -106.46 94.48 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.914 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.69 -94.48 1.54 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 74.34 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.74 19.78 4.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 73.05 112.42 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.33 134.97 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 74.23 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -101.71 146.64 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.877 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -129.09 143.43 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.859 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.6 t -106.72 137.83 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 73.04 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.52 155.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.11 111.114 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.48 143.32 29.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.934 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.79 122.99 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.35 74.97 2.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 63.31 112.494 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.513 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 36.0 p -82.15 124.48 29.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 74.03 110.896 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.76 -70.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.21 111.125 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.09 -70.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 73.4 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.02 -1.3 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 73.22 110.854 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 16.6 mmtm -64.97 -3.59 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 175.93 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 64.23 110.852 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.32 157.29 18.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.844 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 -19.85 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 74.14 110.902 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.1 131.39 50.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.825 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 6' ' ' CYS . 10.0 t70 -65.58 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 75.43 110.859 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -17.44 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.91 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -51.24 159.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.51 155.89 20.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.51 110.867 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -130.16 170.63 13.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.909 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.45 143.78 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.896 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -126.91 127.69 45.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 94.7 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.83 -11.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.43 -39.14 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 64.35 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -102.03 1.69 36.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 55.61 36.19 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.82 151.46 38.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.837 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.42 142.91 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 71.32 111.15 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.71 145.22 51.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.847 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' HB3' ' H ' ' A' ' 53' ' ' GLN . 7.9 m -122.45 -164.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 53.42 110.92 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' H ' ' HB3' ' A' ' 52' ' ' CYS . 8.0 tt0 -60.84 106.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.1 150.9 68.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 72.53 111.175 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.27 23.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 72.33 112.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.089 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.84 0.352 . . . . 63.51 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' ' C ' ' A' ' 3' ' ' GLY . 5.2 p90 -97.25 -0.87 45.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.944 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -28.6 134.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.763 . . . . 60.14 112.53 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.2 -175.58 14.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 71.42 112.506 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -112.48 154.78 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 72.22 110.872 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 19.5 t -119.68 141.24 49.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 63.12 110.845 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -97.89 155.11 17.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 72.02 110.879 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -81.44 -54.94 5.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -88.81 -46.41 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.905 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.663 ' O ' ' C ' ' A' ' 11' ' ' ASN . 12.7 m-70 -90.91 23.21 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.878 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' C ' ' O ' ' A' ' 10' ' ' HIS . 24.4 p-10 -8.41 86.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.35 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -126.91 160.5 30.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.2 111.179 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -119.84 121.35 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.0 m -120.0 110.94 17.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.176 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -126.34 164.16 21.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 74.15 110.959 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -125.06 118.1 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 75.04 110.945 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -98.89 94.81 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.1 110.936 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.28 -94.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 74.04 112.443 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.26 28.97 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.529 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.23 140.84 23.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 73.21 110.864 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -92.59 153.87 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.916 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -130.54 168.58 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.906 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.31 128.02 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 75.44 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -142.45 149.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.04 111.145 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.85 149.04 22.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 74.14 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.37 122.55 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.59 64.4 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 72.44 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 65.7 p -71.16 124.52 24.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 64.52 110.901 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.31 -69.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.117 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.17 -69.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 73.13 111.09 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -0.87 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.892 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 21.5 mmtp -65.3 -4.11 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.943 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 174.58 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.51 110.923 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -108.1 156.2 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.841 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.38 -20.94 10.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.895 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.03 131.6 52.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.3 t70 -65.32 -27.89 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 60.32 110.85 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -83.37 -14.88 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.47 157.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.846 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.84 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.835 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 17.5 p -135.7 171.52 14.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -129.42 148.7 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.851 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -140.25 127.06 20.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 75.35 110.891 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.35 106.17 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.911 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.76 -34.83 78.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.868 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -21.27 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.922 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -4.74 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 72.25 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt 48.87 40.6 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.907 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.57 143.87 47.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.64 139.2 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -131.68 144.21 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.86 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 14.9 m -114.21 -166.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 1.9 pp0? -64.43 109.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.894 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.41 151.83 63.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 73.12 111.121 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 132.39 23.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 74.11 112.33 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.116 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 74.54 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.2 p90 -101.73 -1.3 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.51 135.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 64.24 112.484 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.26 -175.05 14.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 62.51 112.448 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -112.76 153.39 27.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 73.35 110.837 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 25.5 t -120.97 141.04 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 41.2 t -98.14 153.83 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.888 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.39 -54.74 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 64.22 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.36 -44.66 10.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 72.25 110.918 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.667 ' O ' ' C ' ' A' ' 11' ' ' ASN . 28.3 m-70 -88.91 21.21 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.874 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.667 ' C ' ' O ' ' A' ' 10' ' ' HIS . 62.8 t30 -7.21 84.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.918 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -129.7 163.62 25.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.187 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.2 m -119.3 128.13 53.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.909 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.6 m -129.92 112.5 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.176 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -129.52 166.6 19.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 65.21 110.916 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -126.12 123.04 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 73.45 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 94.67 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.929 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -94.43 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 74.13 112.461 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.46 27.44 3.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.694 -0.765 . . . . 71.45 112.448 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 146.05 27.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 72.25 110.874 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.68 153.68 18.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.916 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -130.26 168.24 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.855 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.94 134.35 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 65.2 111.104 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -147.37 149.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 73.04 111.113 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 147.06 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 51.21 110.893 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -102.03 121.35 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.67 77.04 2.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 62.51 112.505 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 4.1 t -76.29 127.24 32.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 75.2 110.824 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.09 -67.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 55.4 111.112 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.94 -70.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.095 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -118.9 5.25 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.885 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.34 -4.58 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB3' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -79.18 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.929 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.48 157.87 19.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.917 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.12 -16.3 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 72.3 110.898 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.0 126.46 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' CYS . 14.4 p-10 -63.18 -30.47 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.03 110.864 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -81.38 -16.46 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 72.53 110.867 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -52.57 165.93 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 70.15 110.901 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -109.42 157.06 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.822 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.11 170.33 13.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.885 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -128.59 141.52 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -134.29 125.32 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -84.61 97.67 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 72.34 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -68.57 -23.37 64.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.88 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -82.65 -30.52 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.804 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -100.55 -6.82 24.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt 59.24 40.99 20.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.882 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.68 151.8 49.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.882 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.35 136.86 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.04 111.173 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.36 146.04 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.42 110.835 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m -119.36 -166.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.841 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 105.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.16 150.63 74.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 74.33 111.108 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.6 Cg_endo -69.77 132.25 22.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.12 112.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.063 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.869 0.366 . . . . 71.54 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -79.39 -178.3 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.44 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.19 138.81 4.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 61.02 112.512 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.24 178.03 18.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.471 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -112.64 153.86 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 73.44 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 38.1 t -120.25 141.19 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 70.3 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 36.7 t -97.51 154.57 17.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.853 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.4 tp -80.77 -54.84 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.914 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -38.12 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 65.12 110.902 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' O ' ' C ' ' A' ' 11' ' ' ASN . 78.1 m80 -93.1 20.2 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.855 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.66 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.8 t30 -8.16 83.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.15 162.85 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 63.24 111.118 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 4.2 m -120.25 126.02 49.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' HIS . 88.1 m -130.74 112.66 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.42 111.101 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -128.2 163.01 25.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 73.54 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -124.09 125.16 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 60.22 110.919 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 95.05 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.31 110.901 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.53 -95.32 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 73.33 112.477 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.71 28.48 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 64.22 112.479 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.26 145.25 26.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 64.23 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -98.71 153.3 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 63.31 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.507 ' O ' HG23 ' A' ' 14' ' ' THR . 29.4 m-70 -129.48 168.2 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.4 133.8 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.23 111.129 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.84 149.87 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.54 111.136 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.24 145.78 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 63.35 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -100.34 121.81 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.89 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.99 70.2 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 60.54 112.478 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 62.6 p -77.53 123.75 27.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.03 110.857 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.82 -70.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.53 111.097 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.74 -69.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -113.62 -1.64 14.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 44.2 110.861 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 16.0 mmmt -65.59 -3.32 4.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.98 175.41 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 70.33 110.912 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -109.26 156.74 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 55.32 110.926 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.689 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.1 mmtt -118.55 -17.12 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.872 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -128.28 126.49 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 54.04 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -81.53 -16.82 50.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.853 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -52.3 160.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.55 110.867 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -105.93 155.44 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.84 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -126.98 168.26 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.856 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -129.15 141.65 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -133.74 125.88 29.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.922 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.43 102.64 12.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.51 110.87 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.38 -34.52 74.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.877 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -79.1 -25.54 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 63.23 110.849 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.49 -5.24 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.01 46.17 27.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -134.93 150.06 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 74.5 110.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -108.48 137.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 73.44 111.156 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -131.21 144.63 51.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 42.53 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.524 ' O ' HG22 ' A' ' 54' ' ' THR . 2.6 m -118.71 -166.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.877 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -64.85 108.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.56 151.86 71.02 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.607 0.718 . . . . 70.54 111.133 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 132.47 23.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 62.13 112.323 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.146 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.327 . . . . 74.14 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -113.63 169.94 8.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.881 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.36 137.53 5.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 61.4 112.454 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.35 174.23 19.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 60.33 112.505 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.19 154.21 28.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 63.31 110.888 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 30.9 t -119.93 141.48 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.33 154.7 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.88 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.691 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.3 tp -81.34 -54.77 5.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -88.12 -44.91 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.662 ' O ' ' C ' ' A' ' 11' ' ' ASN . 38.6 m-70 -88.62 21.19 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.35 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.662 ' C ' ' O ' ' A' ' 10' ' ' HIS . 58.2 t30 -8.03 84.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 60.33 110.871 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -129.79 162.6 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.162 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m -120.27 126.11 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.875 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.7 m -130.15 111.74 12.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 22.4 111.15 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -127.54 151.36 48.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 65.34 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.36 127.49 51.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 70.34 110.952 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 94.78 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.909 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.71 -95.28 1.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 70.4 112.461 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.29 31.19 2.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 61.42 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.65 140.73 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 61.34 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.83 145.29 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.921 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.03 130.17 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.42 110.872 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 p -104.43 136.01 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 62.32 111.121 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -146.96 155.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.12 111.109 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 145.71 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.35 110.883 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -101.06 123.13 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.885 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.52 72.36 2.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.76 . . . . 35.44 112.443 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 57.9 p -80.11 124.54 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 63.41 110.89 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.88 -70.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 71.53 111.126 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.52 -69.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.34 111.074 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -113.3 -1.86 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.848 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 47.4 mmtt -64.62 -3.94 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.31 110.915 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 3.8 pttp -83.7 175.9 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.945 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.84 157.14 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.15 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -118.19 -17.15 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.873 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.85 127.32 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 52.42 110.834 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.8 p-10 -63.54 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 60.25 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -16.96 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 65.05 110.88 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -51.84 160.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 70.43 110.88 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -105.96 154.81 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.863 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.58 168.19 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.907 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -129.29 140.42 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.924 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -132.91 120.42 21.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.929 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.5 102.84 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.876 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 64.13 110.869 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.64 -22.6 60.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.865 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -4.52 26.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.01 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp 50.86 40.03 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.905 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -134.76 153.34 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.3 t -108.08 141.52 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 60.11 111.142 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -132.0 144.6 50.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 43.34 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.522 ' O ' HG22 ' A' ' 54' ' ' THR . 4.0 m -120.73 -166.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 44.04 110.906 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -64.97 107.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.91 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.61 151.76 70.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 75.42 111.153 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.36 23.16 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 74.41 112.393 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 71.05 111.161 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 73.2 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -113.08 176.76 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.18 139.29 6.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.684 -0.769 . . . . 62.04 112.465 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.76 178.62 17.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 72.42 112.45 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.6 154.25 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 75.33 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 14.6 t -119.13 140.89 49.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -97.36 154.46 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.44 110.9 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -81.48 -55.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 73.11 110.918 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -89.24 -45.64 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.33 110.881 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.661 ' O ' ' C ' ' A' ' 11' ' ' ASN . 14.3 m-70 -90.2 22.57 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 63.13 110.842 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.661 ' C ' ' O ' ' A' ' 10' ' ' HIS . 24.0 p-10 -8.04 85.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.916 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -128.12 161.15 29.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 52.25 111.14 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.484 ' HB2' HG23 ' A' ' 24' ' ' VAL . 6.8 m -119.91 125.33 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.3 m -128.07 112.74 14.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 73.04 111.132 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -131.55 159.91 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.964 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.13 129.67 51.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -113.28 94.55 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.21 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.58 -94.97 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 41.12 112.467 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.56 28.03 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 33.21 112.505 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.28 147.82 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 71.44 110.901 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -102.37 149.02 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.874 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -123.49 167.68 13.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.849 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.52 135.45 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 60.41 111.16 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -148.82 146.63 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.14 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.73 147.31 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.72 123.59 43.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.839 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.82 58.12 4.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.458 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.3 m -62.41 124.12 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 60.24 110.894 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.6 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.54 111.125 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.28 -69.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 53.24 111.128 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -114.09 -1.44 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.32 110.93 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 33.4 mmtm -63.86 -4.27 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.885 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.64 174.17 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.893 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.7 158.07 17.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.908 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -116.4 -17.01 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.94 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.3 127.94 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.873 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' CYS . 10.0 p-10 -64.22 -29.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.82 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.0 -14.79 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -54.2 161.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -105.4 156.08 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 72.2 110.901 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -129.45 170.79 13.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.914 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.58 141.31 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.2 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -127.29 127.91 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.923 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -85.25 94.16 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 71.12 110.864 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.85 -21.95 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.91 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -82.72 -31.72 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 61.13 110.863 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -101.03 -6.21 24.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.876 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt 60.12 38.92 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.856 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.22 154.27 46.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -106.93 141.39 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.13 111.097 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -132.06 144.95 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.524 ' O ' HG22 ' A' ' 54' ' ' THR . 13.9 m -122.06 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.849 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.72 108.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.4 151.86 70.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 62.14 111.107 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.3 23.12 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 71.35 112.381 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 64.12 111.136 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.788 0.328 . . . . 74.4 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -103.07 175.75 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 54.43 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.87 136.78 5.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.727 . . . . 54.4 112.516 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 175.72 17.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 75.21 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.81 152.32 29.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 73.12 110.839 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 47.9 t -120.9 141.16 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.869 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -96.86 154.79 17.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 75.31 110.835 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -79.79 -53.53 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.31 110.928 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -38.33 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.922 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 11' ' ' ASN . 78.3 m80 -92.72 19.89 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.65 ' C ' ' O ' ' A' ' 10' ' ' HIS . 50.3 t30 -8.99 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.917 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -131.58 163.55 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.03 111.165 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.1 m -117.63 128.19 54.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.878 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' HIS . 44.2 m -132.7 113.87 13.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.163 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -133.43 163.02 30.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.893 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -119.15 129.67 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.949 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 94.35 4.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.9 -94.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.81 24.08 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.34 112.508 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.12 152.52 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 63.42 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -99.44 153.59 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.857 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.415 ' O ' HG23 ' A' ' 14' ' ' THR . 32.4 m-70 -131.78 164.42 26.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.847 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 t -116.32 137.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 53.23 111.17 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG12 HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -143.08 147.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 64.12 111.116 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.64 138.84 37.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -98.04 122.47 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 63.51 110.886 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.87 64.35 4.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 63.6 p -69.12 124.49 23.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 72.44 110.89 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.22 -70.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.114 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.96 -69.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.071 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 1.9 p30 -113.6 -1.83 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 64.42 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 7.8 mmtp -65.24 -3.19 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 60.13 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.98 176.0 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.93 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.65 156.25 19.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.7 mmtt -118.42 -16.1 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.16 125.85 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 62.02 110.841 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.71 -29.09 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 61.11 110.843 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mmt-85 -82.35 -16.22 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.896 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' CE1' ' HG3' ' A' ' 53' ' ' GLN . 4.7 t-80 -53.13 158.96 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.838 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -106.36 156.08 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 63.54 110.855 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.12 169.04 13.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.2 110.932 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -129.33 141.63 51.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 52.42 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' HD1' HG13 ' A' ' 50' ' ' VAL . 53.7 t80 -129.87 126.75 38.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 62.35 110.864 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -85.13 96.82 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 52.41 110.86 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.82 -25.59 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 62.42 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -82.24 -30.08 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.87 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.69 -0.52 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 51.69 44.32 29.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -134.65 153.17 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.914 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -109.88 140.4 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.54 111.122 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -132.41 144.9 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.54 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.535 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 m -118.08 -166.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.1 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -65.85 106.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.909 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.39 151.35 72.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.696 . . . . 70.51 111.163 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 54.0 Cg_endo -69.69 132.2 22.94 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.68 2.254 . . . . 75.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 34.2 111.175 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 74.21 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -91.93 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.858 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.13 138.69 6.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 72.24 112.527 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.59 -177.01 14.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 70.52 112.468 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -121.35 153.36 37.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 72.23 110.892 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 29.2 t -120.24 141.1 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.24 110.877 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.19 157.19 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.829 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.652 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -81.62 -53.89 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.41 110.881 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -46.37 8.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.856 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.661 ' O ' ' C ' ' A' ' 11' ' ' ASN . 34.6 m-70 -89.48 22.22 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 72.25 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.661 ' C ' ' O ' ' A' ' 10' ' ' HIS . 22.6 p-10 -10.14 85.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.913 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -128.23 161.67 28.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 54.23 111.154 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' HB2' HG23 ' A' ' 24' ' ' VAL . 15.6 m -118.66 127.17 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 65.25 110.86 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -130.63 111.92 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.084 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.2 158.73 39.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.926 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -122.87 130.21 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.79 94.52 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.914 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.78 -94.88 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 64.31 112.433 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 28.18 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 31.21 112.471 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.39 147.21 28.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 53.3 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -102.01 144.69 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.94 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -117.69 167.69 11.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 65.34 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.9 133.07 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 62.33 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -146.71 147.19 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 72.32 111.113 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -97.53 145.1 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.85 122.66 40.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 60.33 110.919 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.44 62.78 4.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 71.42 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 78.5 p -66.87 124.15 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 50.44 110.83 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.11 -70.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.06 -69.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -115.01 -1.23 13.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 18.0 mmtp -64.73 -4.33 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.31 110.903 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.09 175.15 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.881 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.15 157.59 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 63.24 110.872 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -117.78 -16.07 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.52 110.922 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.4 126.14 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.31 110.9 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' CYS . 16.2 p-10 -62.7 -29.84 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -82.66 -16.5 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.889 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -51.91 160.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.868 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -105.76 156.33 18.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 71.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -127.42 170.34 12.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 65.5 110.88 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -129.65 141.62 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 71.24 110.932 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' HD1' HG13 ' A' ' 50' ' ' VAL . 43.5 t80 -131.13 121.63 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.932 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -84.54 101.68 12.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.855 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.31 -37.25 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.899 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -65.94 -30.4 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 72.03 110.85 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 50.1 m170 -102.11 -4.5 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 72.31 110.843 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 49.21 20.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 65.02 110.902 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HG2' ' HB3' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -137.26 153.51 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.902 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.421 HG13 ' HD1' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -106.09 140.1 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.53 111.157 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -132.3 144.49 50.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.893 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.548 ' O ' HG22 ' A' ' 54' ' ' THR . 6.9 m -120.7 -166.37 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 62.13 110.898 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 106.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 70.32 110.901 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.89 151.35 71.12 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.701 . . . . 63.34 111.185 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.3 23.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 52.44 112.291 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.24 111.151 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.845 0.355 . . . . 65.15 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 15.7 p90 -87.31 174.53 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.87 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.64 138.17 6.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 73.24 112.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 175.88 18.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 61.32 112.484 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -115.38 153.11 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 51.25 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 28.4 t -120.26 141.12 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 44.31 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.4 155.82 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.881 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.697 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -81.41 -53.77 6.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 64.41 110.939 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -88.05 -45.31 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.35 110.91 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.657 ' O ' ' C ' ' A' ' 11' ' ' ASN . 36.3 m-70 -88.17 20.77 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.825 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.657 ' C ' ' O ' ' A' ' 10' ' ' HIS . 55.6 t30 -8.64 83.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.887 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -131.15 163.12 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 62.33 111.11 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 8.3 m -118.96 126.66 52.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -130.72 113.7 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.132 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 2' ' ' PHE . 6.6 p90 -131.99 148.22 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.938 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.57 134.52 55.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 43.41 110.965 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -121.57 94.85 4.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.912 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.7 -95.88 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 74.55 112.518 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.35 30.43 2.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 23.21 112.483 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.46 141.99 25.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 31.41 110.867 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.15 140.97 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.899 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -119.39 128.5 54.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.03 135.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 71.22 111.133 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -145.92 152.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.23 111.148 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.75 146.66 24.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 44.11 110.931 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -102.15 123.22 45.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 62.25 110.954 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.88 72.18 2.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 64.23 112.471 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 56.3 p -79.91 124.65 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 61.04 110.841 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.81 -71.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 31.35 111.138 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.39 -70.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.08 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -113.19 -2.0 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 60.31 110.878 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 19.6 mmtp -64.44 -4.07 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 55.53 110.914 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -83.71 176.09 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.897 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.7 156.87 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 54.42 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.697 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.8 mmtt -118.91 -15.22 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 73.11 110.903 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 125.92 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.83 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.6 t70 -62.75 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 70.04 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.25 -16.48 49.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.01 110.867 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -51.88 160.05 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.875 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -105.31 155.84 18.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.55 110.833 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -127.53 168.33 15.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.875 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -129.12 141.07 51.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.892 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -129.58 124.08 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.65 100.62 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.887 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -68.13 -42.94 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -67.12 -22.05 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.13 110.862 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.07 -5.89 20.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.88 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt 53.4 43.53 31.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.887 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -134.95 153.53 52.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 70.51 110.853 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.4 t -108.41 140.31 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 72.24 111.116 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.98 145.39 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.815 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' THR . 4.5 m -120.71 -166.28 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.875 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.11 107.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 53.02 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.85 151.66 71.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.515 0.674 . . . . 65.4 111.163 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 132.4 23.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 75.14 112.381 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 54.34 111.149 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.83 0.348 . . . . 74.12 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.479 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.2 p90 -100.68 -1.81 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.884 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.6 135.2 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 74.4 112.515 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.41 -179.78 16.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 74.21 112.493 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -112.61 153.58 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 51.42 110.885 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 29.1 t -120.49 141.54 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -99.55 155.74 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.817 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' A' ' 35' ' ' LYS . 1.6 tp -81.07 -54.93 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.899 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -39.62 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.881 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.652 ' O ' ' C ' ' A' ' 11' ' ' ASN . 77.6 m80 -92.14 20.13 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.854 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.652 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.0 t30 -9.01 82.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.891 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.42 163.19 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 70.44 111.168 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.5 m -119.27 128.45 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.883 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' HIS . 82.1 m -130.54 113.35 14.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 71.01 111.146 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -127.53 163.76 23.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 70.54 110.954 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -125.08 120.35 31.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 72.5 110.938 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 94.8 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.925 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.21 -94.35 1.79 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 73.41 112.502 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.38 29.28 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 75.15 112.512 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.09 140.29 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 74.31 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -93.63 153.73 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.915 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 14' ' ' THR . 40.4 m-70 -130.32 168.45 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.862 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -130.88 129.89 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 51.13 111.108 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -142.03 150.53 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 50.24 111.133 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.39 146.2 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.922 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -101.06 122.72 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 60.5 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.62 71.97 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 60.14 112.471 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.538 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 64.0 p -79.9 124.03 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 60.13 110.879 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.98 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 60.21 111.124 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.28 -69.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 35.44 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -113.45 -1.79 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.86 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 21.6 mmtt -64.73 -3.91 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.867 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.58 175.9 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.896 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.71 157.26 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.43 110.902 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.725 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -119.68 -15.46 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.892 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.55 124.51 38.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 65.23 110.822 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' CYS . 11.6 p-10 -62.03 -30.6 71.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.899 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.34 -16.69 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.854 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -51.61 160.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 65.13 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -105.82 155.36 19.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 51.25 110.847 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.65 170.0 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 62.44 110.888 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -128.77 141.28 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -134.56 123.67 24.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 71.53 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 47' ' ' HIS . 83.1 m-20 -85.0 98.87 10.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 61.32 110.873 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.09 -24.95 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -81.6 -30.28 32.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 71.52 110.853 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -99.24 -3.77 33.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 52.34 110.903 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 54.39 44.94 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.82 152.87 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.858 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.2 t -110.14 140.12 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.168 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.28 144.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' O ' HG22 ' A' ' 54' ' ' THR . 4.3 m -120.77 -165.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.821 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.88 108.04 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.939 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.72 151.83 71.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 71.31 111.174 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 132.41 23.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 62.15 112.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 71.01 111.131 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.839 0.352 . . . . 74.24 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.0 p90 -99.08 -2.31 37.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.83 134.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 53.43 112.47 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.35 -179.54 16.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 62.44 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -112.45 152.59 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.382 . . . . 72.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 36.2 t -121.51 141.45 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -97.47 154.65 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.865 -179.835 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.2 tp -80.6 -53.77 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 70.14 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -44.6 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.882 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 37.9 m-70 -88.87 21.27 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 53.1 t30 -8.51 84.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.5 163.1 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 64.1 111.13 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -118.45 126.36 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.899 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' HIS . 22.3 m -130.6 114.28 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 63.23 111.119 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -129.25 167.51 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -125.33 127.75 47.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.04 94.92 5.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.933 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.28 -95.17 1.58 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 53.43 112.468 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.84 26.63 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 65.32 112.522 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.98 151.02 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -102.21 153.59 19.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.936 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' HG23 ' A' ' 14' ' ' THR . 21.7 m-70 -132.53 167.87 19.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 54.51 110.871 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 t -116.68 137.29 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.096 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -142.86 149.08 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 51.13 111.117 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.36 139.36 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 72.04 110.884 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -99.11 121.94 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.892 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.63 68.95 3.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 62.42 112.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.541 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 65.5 p -74.11 124.4 26.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 72.31 110.859 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.44 -70.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 75.45 111.097 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.03 -69.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 1.9 p30 -113.65 -1.8 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 64.43 110.861 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 2.7 mmtp -65.5 -2.96 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.853 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 1.5 pttt -83.83 176.02 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.22 157.04 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 70.43 110.884 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -118.25 -16.54 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.927 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.87 127.77 42.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 55.33 110.872 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.4 t70 -63.23 -30.23 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 71.32 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -81.79 -16.22 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.873 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -52.02 158.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 64.33 110.865 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -106.22 155.21 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -125.71 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 63.54 110.848 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -129.0 141.66 51.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 53.24 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -139.93 124.17 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 73.42 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 71.45 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.43 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -80.71 -21.78 40.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.859 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.48 -4.51 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.884 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 49.98 41.26 22.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.83 145.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 54.22 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.547 HG21 HG12 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -108.86 139.74 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 53.24 111.134 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.56 144.71 50.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 55.24 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.545 ' O ' HG22 ' A' ' 54' ' ' THR . 3.0 m -115.92 -166.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.91 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.15 106.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.55 151.64 73.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.495 0.664 . . . . 71.14 111.176 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.1 Cg_endo -69.81 132.34 23.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 53.21 112.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 64.44 111.115 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.781 0.324 . . . . 73.3 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.5 p90 -100.03 -1.49 36.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.877 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.37 135.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 74.22 112.469 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.13 -178.07 15.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 65.23 112.482 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.69 154.05 26.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 64.15 110.899 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 25.3 t -119.84 141.5 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 54.24 110.849 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -98.04 154.35 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.867 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.2 tp -81.48 -55.37 4.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.912 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -37.12 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.877 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 71.9 m80 -94.52 21.0 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 63.44 110.845 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 60.4 t30 -7.82 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.92 162.64 29.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 61.44 111.177 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HB2' HG23 ' A' ' 24' ' ' VAL . 1.7 m -120.1 128.42 53.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 22' ' ' HIS . 41.3 m -130.41 113.81 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 65.44 111.152 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -128.12 166.27 18.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -126.27 120.0 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.2 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.06 94.51 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.891 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.9 -94.24 1.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.764 . . . . 74.54 112.508 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.91 28.1 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 43.44 112.451 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.85 141.69 24.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 74.45 110.884 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -95.17 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 54.25 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' HG23 ' A' ' 14' ' ' THR . 20.6 m80 -131.07 168.37 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.863 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -128.17 133.28 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.116 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.43 149.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.133 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.87 149.18 21.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 63.35 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -104.09 122.32 45.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 72.11 110.887 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.41 73.95 2.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 74.33 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 60.8 p -81.85 124.0 29.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 35.3 110.87 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.18 -70.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.136 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.16 -70.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.21 111.144 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -113.55 -1.16 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.888 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 34.4 mmtm -65.26 -3.77 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 64.53 110.901 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 175.44 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.883 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.34 156.74 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -117.94 -17.6 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.51 110.95 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -128.17 127.42 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' CYS . 9.6 t70 -63.6 -27.87 69.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.852 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -82.17 -16.55 49.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.903 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -52.18 158.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.844 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.08 156.25 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -130.57 170.52 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.906 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -130.51 143.64 50.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -137.7 126.7 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.907 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.74 106.71 16.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 73.52 110.835 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.5 -34.71 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -81.54 -21.46 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 65.3 110.824 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -99.46 -4.99 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.86 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 48.88 40.46 16.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.81 143.87 47.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.873 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.22 141.82 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 61.11 111.133 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.79 145.52 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 44.43 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.513 ' O ' HG22 ' A' ' 54' ' ' THR . 4.6 m -116.69 -165.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.902 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.39 107.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -124.2 151.2 65.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 52.32 111.142 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.2 22.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.739 2.293 . . . . 65.51 112.313 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.11 111.142 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.35 . . . . 64.1 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.7 p90 -99.77 -1.42 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.23 110.89 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.17 135.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 65.22 112.499 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.33 -177.1 15.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 71.25 112.511 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -112.69 154.5 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 73.42 110.857 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 21.6 t -119.7 140.98 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 60.01 110.878 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 44.9 t -97.46 155.99 16.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.874 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.4 tp -82.44 -55.29 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 73.11 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.913 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.669 ' O ' ' C ' ' A' ' 11' ' ' ASN . 51.1 m80 -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.878 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.669 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.5 p-10 -8.0 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.842 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -127.5 160.56 31.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.55 111.153 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB2' HG23 ' A' ' 24' ' ' VAL . 4.3 m -120.09 125.67 48.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 55.13 110.875 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 22' ' ' HIS . 42.0 m -125.66 111.66 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 41.3 111.171 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -126.15 162.94 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.923 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.19 119.0 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 61.41 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.14 94.89 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.873 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.14 -94.28 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 74.11 112.472 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.07 29.52 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 64.15 112.505 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.16 139.89 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 74.24 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -93.43 153.79 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 14' ' ' THR . 29.6 m-70 -129.76 168.77 16.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.869 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -132.0 129.64 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.1 111.096 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -142.99 149.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.55 111.1 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -95.56 148.7 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.25 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.94 123.0 44.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 62.12 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.04 67.6 3.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 73.32 112.52 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 72.9 p -73.26 124.22 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 70.54 110.865 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.9 -70.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.099 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.5 -69.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.078 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -114.63 -0.89 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.5 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 2.9 mmtp -64.74 -4.53 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.922 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 174.25 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.872 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.7 157.46 19.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 64.21 110.873 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -115.83 -18.95 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.881 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -127.83 129.55 47.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.821 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.2 p-10 -64.5 -27.13 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.87 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -82.49 -16.72 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -50.94 159.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -106.49 156.16 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 62.23 110.838 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -131.96 170.77 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.858 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -130.67 143.65 50.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -139.56 125.66 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 72.41 110.957 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.73 108.6 17.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -32.83 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 65.25 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.37 -23.99 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 52.04 110.865 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.57 -4.9 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 73.24 110.813 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.39 44.83 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 142.02 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.25 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -106.02 139.81 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 61.11 111.127 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.73 145.44 51.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.907 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.9 m -117.18 -165.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.13 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.31 107.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -123.97 151.31 64.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.563 0.697 . . . . 73.33 111.123 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 132.3 22.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 53.11 112.325 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.1 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.832 0.348 . . . . 73.04 110.892 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.6 p90 -98.58 -1.33 41.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.871 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.44 135.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 73.12 112.472 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.55 -179.35 15.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 51.41 112.541 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -112.63 153.38 27.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 72.15 110.897 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 19.6 t -120.36 141.56 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.1 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.48 155.16 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 75.54 110.86 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.0 tp -81.54 -53.87 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 60.2 110.932 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -87.37 -44.84 11.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.951 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 33.6 m-70 -89.03 20.66 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.88 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 30.5 t30 -8.32 84.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 50.11 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.51 163.67 26.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.34 111.165 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.9 m -119.58 120.75 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.881 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -123.68 113.37 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.05 111.135 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.4 160.33 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -124.34 120.36 31.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.963 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 94.82 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.845 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.25 -94.67 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 74.5 112.464 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.17 30.49 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -149.32 140.48 23.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 52.55 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.28 153.91 20.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.883 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -139.95 133.64 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.874 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -105.19 135.14 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.3 111.108 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -142.32 150.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.22 111.123 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -88.98 139.7 30.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.876 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -97.71 122.44 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 75.32 110.902 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.51 83.85 1.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 65.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 16.2 m -90.6 125.83 35.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 52.04 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.42 -69.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.151 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.58 -70.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.13 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -115.22 1.53 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 72.23 110.889 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 12.3 mmtp -63.45 -6.14 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.906 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 5.8 pttp -83.02 176.3 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.875 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.08 157.43 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.859 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.6 mmtt -118.7 -14.38 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.948 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.22 127.42 41.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.852 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.5 p-10 -62.92 -29.69 70.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.64 -17.05 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.899 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -52.07 159.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -106.61 155.02 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.865 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.26 169.64 12.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.864 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.96 141.25 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.855 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -136.59 122.59 20.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 74.52 110.932 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.59 103.22 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.9 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.38 -32.72 74.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.896 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -80.76 -21.49 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.885 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.45 -4.49 28.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 72.34 110.898 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp 50.14 40.81 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.91 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.27 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.4 t -109.99 139.58 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.099 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -132.05 144.68 50.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.51 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' THR . 8.0 m -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.22 110.86 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -64.65 108.05 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 52.43 110.924 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.07 151.93 69.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 52.51 111.145 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 132.36 23.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 51.35 112.35 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 54.12 111.13 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.823 0.344 . . . . 54.21 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.8 173.93 11.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.11 137.95 6.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 62.11 112.516 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.37 175.2 19.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 74.34 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -113.03 153.1 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 75.22 110.913 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 47.0 t -120.51 140.23 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 65.45 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -96.96 155.94 16.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.871 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.8 tp -80.71 -52.82 7.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 70.42 110.891 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.79 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.906 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 11' ' ' ASN . 32.6 m-70 -87.89 20.66 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 65.12 110.864 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.658 ' C ' ' O ' ' A' ' 10' ' ' HIS . 56.7 t30 -8.57 82.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.3 110.921 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -132.01 162.65 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 51.33 111.127 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 m -119.5 128.26 53.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 22' ' ' HIS . 94.3 m -131.1 113.89 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.04 111.186 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -129.47 154.95 46.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 72.24 110.933 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.87 131.35 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.955 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -115.3 95.18 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.07 -95.98 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 71.31 112.492 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.41 28.1 3.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 53.35 112.465 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.86 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 71.54 110.915 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -103.7 144.17 31.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.22 110.918 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 14' ' ' THR . 19.1 m-70 -117.31 167.64 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 53.22 110.847 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -130.89 131.7 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 60.33 111.075 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.2 146.92 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.153 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.69 148.2 22.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.841 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 121.75 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.878 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.11 65.96 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.435 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.578 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 64.8 p -72.4 124.22 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 44.21 110.862 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.42 -70.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 54.05 111.08 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.93 -69.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 71.35 111.102 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -113.54 -1.5 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.922 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 12.3 mmmt -65.71 -3.02 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 65.35 110.915 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.6 175.71 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.875 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.81 156.26 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.895 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.659 ' HA ' HD13 ' A' ' 8' ' ' LEU . 4.6 mmtt -117.81 -17.11 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 51.45 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.87 126.73 40.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.816 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 6' ' ' CYS . 2.7 t70 -61.82 -27.98 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 73.15 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -83.44 -16.06 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 61.21 110.875 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 53' ' ' GLN . 4.1 t-80 -53.1 156.43 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.55 156.61 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 63.01 110.851 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 23.6 p -135.56 172.98 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.87 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -128.07 158.3 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 64.14 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -142.38 123.84 14.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.975 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.65 101.01 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -67.64 -42.62 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 53.44 110.851 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -68.06 -21.93 64.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.923 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -104.89 -4.19 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.881 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.13 44.04 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 61.24 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.89 150.22 50.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -110.58 139.4 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 52.53 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -130.43 145.73 51.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.888 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.511 ' O ' HG22 ' A' ' 54' ' ' THR . 4.6 m -119.42 -165.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.2 110.868 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -62.72 107.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.913 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -124.72 150.52 65.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 45.44 111.133 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.16 22.8 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 73.41 112.329 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.128 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 62.4 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -95.91 174.37 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.892 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.78 138.03 4.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 75.24 112.488 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.3 179.06 17.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 64.42 112.505 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.5 153.97 26.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.379 . . . . 70.04 110.89 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 26.5 t -120.09 141.56 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.891 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.16 154.01 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 65.24 110.845 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD22 ' O ' ' A' ' 35' ' ' LYS . 3.0 tp -81.28 -54.41 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 52.21 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -88.17 -44.79 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.905 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.663 ' O ' ' C ' ' A' ' 11' ' ' ASN . 19.3 m-70 -88.86 21.21 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.872 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' C ' ' O ' ' A' ' 10' ' ' HIS . 59.8 t30 -7.67 84.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.02 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.01 162.78 27.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 52.21 111.145 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 m -119.98 127.24 52.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.872 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 22' ' ' HIS . 57.6 m -130.64 112.55 13.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.14 111.131 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -129.55 165.82 20.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 64.11 110.93 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.12 126.01 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 63.13 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.49 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.24 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.12 -95.08 1.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 71.13 112.522 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.12 27.14 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 63.54 112.452 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.09 149.5 31.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 65.24 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -101.51 153.63 19.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.04 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' THR . 31.5 m80 -129.76 167.93 17.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 63.44 110.833 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -127.97 132.8 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 72.02 111.156 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.35 153.31 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.34 24.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 62.12 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -100.82 121.37 41.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 42.1 110.853 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.7 69.93 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 73.43 112.482 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 80.0 p -73.29 122.45 22.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.923 0.392 . . . . 62.1 110.83 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.45 -69.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.13 111.102 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.03 -68.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.71 -1.5 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.911 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -64.49 -3.85 3.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.919 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -81.8 173.53 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.864 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 1.2 m -109.94 155.73 21.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -117.66 -18.43 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 63.3 110.929 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.85 128.12 44.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.815 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.0 p-10 -63.91 -29.13 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.864 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -16.49 51.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.862 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -52.27 164.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.875 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 157.04 19.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -130.03 167.21 18.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -128.8 139.9 51.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -128.0 126.16 40.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.957 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -83.45 97.0 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 53.33 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.85 -23.6 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.01 110.878 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -82.3 -30.31 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.826 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.6 -6.98 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.03 110.811 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt 59.88 37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 62.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.48 153.21 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 64.35 110.854 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -109.81 137.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 70.2 111.148 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.66 145.86 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.856 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.9 m -116.29 -167.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 45.15 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 2.4 pp0? -65.89 112.3 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 41.11 110.91 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.57 152.47 74.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 72.53 111.128 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.34 23.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 75.3 112.365 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.111 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.338 . . . . 73.25 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.3 p90 -101.24 -1.29 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 63.15 110.884 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.62 135.53 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.32 112.483 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.42 -177.18 15.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 71.4 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -112.28 153.81 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 74.35 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 20.0 t -120.12 141.16 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.33 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -98.3 154.88 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.874 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 35' ' ' LYS . 2.1 tp -80.9 -55.49 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.25 110.876 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -89.38 -45.65 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.33 110.853 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.664 ' O ' ' C ' ' A' ' 11' ' ' ASN . 11.2 m-70 -90.87 23.08 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.837 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.664 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.0 p-10 -8.88 87.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.852 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -126.29 161.15 28.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 62.31 111.122 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.519 ' HB2' HG23 ' A' ' 24' ' ' VAL . 4.5 m -120.35 120.38 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 60.51 110.909 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m -121.29 111.16 17.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -127.45 161.23 29.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -126.15 118.31 24.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 94.62 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.38 -94.01 1.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 53.04 112.468 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.2 29.93 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 64.41 112.475 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 140.77 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 72.14 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.23 154.8 19.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -135.95 133.92 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.872 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -105.11 130.52 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 71.03 111.122 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -141.96 151.92 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.23 111.117 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.42 146.34 24.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.37 122.87 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.868 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.5 68.27 3.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 73.11 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.558 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 p -74.82 124.11 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 72.33 110.837 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.2 -70.47 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 45.25 111.099 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.9 -69.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.078 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -114.37 -1.84 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 11.0 mmtm -64.21 -4.7 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.2 175.18 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.9 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 50.32 110.892 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.666 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -116.76 -19.03 10.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.892 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -126.98 128.59 46.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 60.44 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.1 t70 -64.44 -29.99 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 53.2 110.898 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -16.58 51.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.856 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -51.71 161.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.888 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -105.55 155.17 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.44 170.72 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.904 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -129.19 141.03 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 64.3 110.91 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -136.66 122.77 20.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.956 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -84.45 102.4 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.844 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.72 -30.22 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.876 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -80.05 -25.28 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.88 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -4.54 27.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.89 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 44.46 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.85 150.74 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -108.91 138.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.086 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -131.97 144.55 50.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 75.34 110.853 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.554 ' O ' HG22 ' A' ' 54' ' ' THR . 5.5 m -121.28 -165.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 70.43 110.874 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 106.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.11 151.43 71.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.561 0.696 . . . . 72.44 111.178 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 132.45 23.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 61.01 112.325 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 63.21 111.13 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 55.21 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.483 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.3 p90 -100.22 -1.36 36.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 73.22 110.929 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.29 135.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 40.23 112.507 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.94 -175.49 15.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.56 153.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 72.14 110.928 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 17.9 t -120.73 140.71 51.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -98.06 155.65 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.86 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 35' ' ' LYS . 1.6 tp -81.71 -56.04 4.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.947 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.69 -41.25 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.86 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' ASN . 57.9 m80 -93.68 21.86 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.851 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.9 p-10 -8.3 85.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 74.22 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -126.65 161.94 26.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 64.31 111.134 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HB2' HG23 ' A' ' 24' ' ' VAL . 3.3 m -119.72 124.61 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 54.11 110.875 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -125.36 110.84 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.127 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -127.83 166.25 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -126.66 118.98 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.76 94.58 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.929 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.98 -94.13 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 65.42 112.502 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.15 28.23 3.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 50.13 112.507 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -149.6 142.36 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 63.13 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.64 153.44 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -129.63 168.66 16.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -130.12 130.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 73.44 111.09 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -142.43 152.48 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 70.1 111.171 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -98.28 146.79 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.944 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 m -99.62 123.26 43.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.36 67.47 3.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.456 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 70.3 p -72.91 124.53 25.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 72.1 110.892 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.37 -70.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 41.41 111.09 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.61 -69.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 72.41 111.105 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -114.45 -1.06 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.896 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 32.2 mmtm -64.55 -4.43 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 62.51 110.878 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 174.78 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 65.24 110.918 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.26 159.16 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 53.31 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.716 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -118.34 -17.2 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.34 110.88 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -126.3 125.47 42.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 70.42 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' CYS . 2.1 t70 -63.69 -31.37 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 54.34 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -81.62 -16.33 51.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 71.3 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -51.87 166.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 75.05 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 156.83 19.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.78 171.62 12.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.831 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -128.32 141.58 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.952 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -137.43 123.07 19.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.932 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.93 103.74 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.911 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -65.27 -34.39 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.872 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -80.8 -21.54 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.31 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -98.61 -4.88 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.848 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp 49.33 39.62 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.61 153.14 52.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -109.44 141.19 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.43 111.141 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.44 145.08 50.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 61.25 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' HG22 ' A' ' 54' ' ' THR . 6.6 m -121.77 -165.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.883 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -64.6 108.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.54 110.887 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.82 151.99 71.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 74.34 111.126 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.739 2.293 . . . . 62.21 112.351 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.121 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 73.15 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 16.0 p90 -84.76 174.64 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.89 139.22 6.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 63.4 112.492 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.08 -179.57 16.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 52.12 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.96 152.8 33.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 63.55 110.883 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 34.3 t -120.44 141.3 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.881 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.16 155.56 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 70.04 110.867 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.7 tp -81.18 -53.44 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.952 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -88.12 -45.16 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 11' ' ' ASN . 64.8 m-70 -88.08 20.82 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.897 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.658 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.1 t30 -8.61 83.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 65.21 110.882 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.79 163.05 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 54.21 111.14 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 10.6 m -119.13 127.25 53.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.877 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -131.02 113.67 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 63.42 111.106 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 2' ' ' PHE . 5.6 p90 -132.79 148.82 52.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -122.02 135.32 54.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.927 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -123.17 94.84 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.881 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.2 -95.48 1.05 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 74.03 112.509 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.34 29.84 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 54.34 112.463 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.67 142.7 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.11 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.17 141.24 29.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -118.94 128.77 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.87 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -104.83 134.43 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 70.31 111.146 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -146.19 155.65 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.91 146.49 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.903 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -100.86 121.73 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 55.24 110.857 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.04 69.76 2.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 52.41 112.493 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.595 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 80.2 p -73.57 122.54 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 63.34 110.876 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.29 -69.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 62.22 111.109 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.14 -68.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 64.15 111.077 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -116.4 -1.88 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.926 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -64.21 -3.93 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 65.43 110.885 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -81.85 174.0 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.877 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 1.2 m -109.49 155.12 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -117.85 -17.98 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.888 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -127.52 127.03 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.7 t70 -62.42 -28.64 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 72.24 110.835 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -16.83 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.856 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -51.93 159.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -105.63 156.06 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.15 110.88 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -127.47 167.46 16.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.909 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.19 139.98 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.895 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -128.41 124.34 36.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.89 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.85 101.75 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 75.51 110.852 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.74 -42.82 81.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -67.91 -22.01 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 71.14 110.865 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -104.62 -4.33 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.851 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 50.58 43.59 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 72.3 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -135.11 152.7 51.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 61.54 110.896 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.1 t -108.87 136.95 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.41 111.137 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -131.98 145.98 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.3 110.872 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.4 m -115.87 -167.61 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.842 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 2.5 pp0? -66.05 112.26 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.01 110.891 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.26 152.56 73.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 71.42 111.144 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 132.47 23.44 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.671 2.247 . . . . 54.34 112.372 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 64.22 111.161 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.329 . . . . 74.2 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.492 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.6 p90 -102.28 -1.62 30.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.19 135.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 61.12 112.51 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 -178.71 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 72.12 112.455 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -112.73 153.04 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 72.41 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 35.7 t -120.88 141.34 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 53.43 110.837 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -97.3 154.39 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 51.43 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 35' ' ' LYS . 2.2 tp -80.71 -54.93 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -36.74 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 44.22 110.895 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.653 ' O ' ' C ' ' A' ' 11' ' ' ASN . 72.1 m80 -94.51 20.93 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.856 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.653 ' C ' ' O ' ' A' ' 10' ' ' HIS . 58.4 t30 -8.39 84.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.921 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.33 163.09 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.142 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -119.8 125.18 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.857 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' HIS . 1.9 m -127.78 112.3 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 61.42 111.133 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -126.62 160.91 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.34 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -124.45 118.0 25.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -102.01 94.71 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.22 -93.68 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.496 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.42 31.79 2.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.484 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -149.2 136.01 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 73.01 110.889 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.39 133.47 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.901 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' THR . 20.4 m-70 -115.24 168.14 10.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.856 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -130.24 135.27 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.5 111.141 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' CB ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -141.15 155.72 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.21 111.135 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.66 142.71 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -99.39 122.36 42.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.882 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.19 70.44 2.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 51.34 112.516 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 61.6 p -78.25 124.2 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 62.43 110.857 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.43 -71.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 70.51 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.63 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 53.12 111.106 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 1.9 p30 -113.27 -1.95 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.51 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 14.7 mmtm -65.06 -3.57 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.79 176.42 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 61.34 110.909 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.18 157.22 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 62.11 110.887 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -118.74 -17.64 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 62.13 110.924 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.91 127.4 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 60.22 110.839 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' CYS . 12.2 p-10 -63.29 -30.01 71.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 54.04 110.851 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -16.55 51.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.847 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -52.35 160.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 75.25 110.832 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -105.73 155.61 19.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.822 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.97 169.83 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.877 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -128.39 141.59 51.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.911 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -137.41 128.14 27.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.947 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -83.92 105.03 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.16 -39.09 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.897 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -20.11 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 71.4 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.26 -7.0 21.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.822 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.7 48.62 22.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.856 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -134.47 146.78 50.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.94 134.13 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.23 111.107 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -131.51 144.82 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 m -119.41 -166.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.863 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.49 106.35 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.924 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.44 151.23 72.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 72.45 111.141 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.8 Cg_endo -69.74 132.32 23.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.685 2.257 . . . . 73.44 112.352 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 63.14 111.123 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 71.43 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -85.11 175.77 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.895 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.11 144.67 12.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 61.42 112.475 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 179.56 17.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 52.44 112.507 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -117.07 153.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 63.4 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 20.0 t -121.11 140.19 52.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.924 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 27.8 t -97.32 154.48 17.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.842 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 35' ' ' LYS . 3.2 tp -81.26 -55.06 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.904 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -38.11 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.886 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.669 ' O ' ' C ' ' A' ' 11' ' ' ASN . 69.7 m80 -93.25 20.62 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.669 ' C ' ' O ' ' A' ' 10' ' ' HIS . 64.4 t30 -6.95 83.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.899 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.7 162.71 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.42 111.147 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB2' HG11 ' A' ' 50' ' ' VAL . 5.5 m -119.89 127.61 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 52.32 110.892 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 m -130.31 113.55 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.24 111.159 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -135.13 150.82 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -124.49 129.88 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 73.01 110.933 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -106.46 94.48 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.914 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.69 -94.48 1.54 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 64.12 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.74 19.78 4.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 73.05 112.42 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.33 134.97 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 62.35 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -101.71 146.64 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.877 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -129.09 143.43 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.859 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.6 t -106.72 137.83 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 73.04 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -142.52 155.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.11 111.114 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -98.48 143.32 29.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.934 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.79 122.99 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.35 74.97 2.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 62.13 112.494 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 36.0 p -82.15 124.48 29.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 74.03 110.896 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.76 -70.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.21 111.125 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.09 -70.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.02 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -114.02 -1.3 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 73.22 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 16.6 mmtm -64.97 -3.59 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.65 175.93 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 63.31 110.852 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.32 157.29 18.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.844 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.69 -19.85 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 71.12 110.902 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.1 131.39 50.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.825 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 6' ' ' CYS . 10.0 t70 -65.58 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 70.51 110.859 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -17.44 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.91 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.24 159.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.51 155.89 20.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.51 110.867 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -130.16 170.63 13.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.909 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.45 143.78 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 61.44 110.896 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -126.91 127.69 45.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 94.7 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 64.31 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.83 -11.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -86.43 -39.14 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 64.35 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -102.03 1.69 36.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 55.61 36.19 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.82 151.46 38.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.837 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -108.42 142.91 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 71.32 111.15 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.71 145.22 51.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.847 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' THR . 7.9 m -122.45 -164.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 53.42 110.92 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.84 106.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -125.1 150.9 68.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 72.53 111.175 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.27 23.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 72.33 112.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.089 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.84 0.352 . . . . 62.25 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' ' C ' ' A' ' 3' ' ' GLY . 5.2 p90 -97.25 -0.87 45.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.944 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -28.6 134.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.763 . . . . 54.24 112.53 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.2 -175.58 14.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 71.42 112.506 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -112.48 154.78 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 72.22 110.872 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 19.5 t -119.68 141.24 49.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 52.12 110.845 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -97.89 155.11 17.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.879 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.6 tp -81.44 -54.94 5.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 73.02 110.911 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -88.81 -46.41 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 65.2 110.905 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.663 ' O ' ' C ' ' A' ' 11' ' ' ASN . 12.7 m-70 -90.91 23.21 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.878 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' C ' ' O ' ' A' ' 10' ' ' HIS . 24.4 p-10 -8.41 86.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -126.91 160.5 30.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.2 111.179 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' HB2' HG23 ' A' ' 24' ' ' VAL . 3.0 m -119.84 121.35 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 55.12 110.888 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.0 m -120.0 110.94 17.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.176 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -126.34 164.16 21.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 74.15 110.959 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -125.06 118.1 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.945 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -98.89 94.81 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 63.03 110.936 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.28 -94.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 74.04 112.443 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.26 28.97 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 50.53 112.529 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.23 140.84 23.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 73.21 110.864 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -92.59 153.87 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.916 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -130.54 168.58 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.906 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.31 128.02 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 75.44 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 13' ' ' CYS . 1.5 m -142.45 149.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.04 111.145 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.85 149.04 22.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 65.23 110.915 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.37 122.55 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.59 64.4 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 52.03 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.529 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 65.7 p -71.16 124.52 24.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 64.52 110.901 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.31 -69.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 43.04 111.117 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.17 -69.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 73.13 111.09 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -114.91 -0.87 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 21.5 mmtp -65.3 -4.11 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 63.43 110.943 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.37 174.58 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.923 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -108.1 156.2 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.841 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -115.38 -20.94 10.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.895 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.03 131.6 52.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 35.43 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.3 t70 -65.32 -27.89 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 50.31 110.85 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -83.37 -14.88 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 53.13 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -52.47 157.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -106.84 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.835 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 17.5 p -135.7 171.52 14.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 53.25 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -129.42 148.7 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.851 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -140.25 127.06 20.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 75.35 110.891 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.35 106.17 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.42 110.911 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.76 -34.83 78.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.868 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.46 -21.27 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.922 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -4.74 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 50.25 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt 48.87 40.6 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.907 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.57 143.87 47.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.45 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -106.64 139.2 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.134 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -131.68 144.21 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 55.32 110.86 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 54' ' ' THR . 14.9 m -114.21 -166.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 1.9 pp0? -64.43 109.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.894 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -123.41 151.83 63.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 73.12 111.121 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 132.39 23.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 74.11 112.33 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 61.05 111.116 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 74.54 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.2 p90 -101.73 -1.3 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.51 135.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 60.42 112.484 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.26 -175.05 14.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 62.51 112.448 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -112.76 153.39 27.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 73.35 110.837 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 25.5 t -120.97 141.04 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 41.2 t -98.14 153.83 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.888 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.5 tp -81.39 -54.74 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 63.22 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.36 -44.66 10.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 72.23 110.918 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.667 ' O ' ' C ' ' A' ' 11' ' ' ASN . 28.3 m-70 -88.91 21.21 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.874 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.667 ' C ' ' O ' ' A' ' 10' ' ' HIS . 62.8 t30 -7.21 84.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.918 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -129.7 163.62 25.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.187 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' HB2' HG23 ' A' ' 24' ' ' VAL . 3.2 m -119.3 128.13 53.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.909 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.6 m -129.92 112.5 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 52.13 111.176 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -129.52 166.6 19.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 65.21 110.916 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -126.12 123.04 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 73.13 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 94.67 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.929 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -94.43 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 74.13 112.461 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.46 27.44 3.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.694 -0.765 . . . . 71.45 112.448 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 146.05 27.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 72.25 110.874 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.68 153.68 18.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.916 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -130.26 168.24 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 62.22 110.855 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.94 134.35 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 32.34 111.104 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -147.37 149.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 73.04 111.113 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 147.06 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 51.21 110.893 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -102.03 121.35 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.67 77.04 2.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 62.51 112.505 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.592 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 4.1 t -76.29 127.24 32.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 75.2 110.824 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.09 -67.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 25.42 111.112 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.94 -70.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.095 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.439 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -118.9 5.25 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.885 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.34 -4.58 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HB3' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -79.18 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.929 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.48 157.87 19.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 55.4 110.917 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.703 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -119.12 -16.3 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 64.44 110.898 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.0 126.46 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' CYS . 14.4 p-10 -63.18 -30.47 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.03 110.864 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -81.38 -16.46 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 72.53 110.867 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -52.57 165.93 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 70.15 110.901 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.42 157.06 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.822 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.11 170.33 13.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.885 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -128.59 141.52 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -134.29 125.32 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.23 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -84.61 97.67 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 64.43 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -68.57 -23.37 64.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.88 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.65 -30.52 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.804 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -100.55 -6.82 24.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt 59.24 40.99 20.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.882 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.68 151.8 49.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.882 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.35 136.86 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.173 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.36 146.04 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.42 110.835 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 m -119.36 -166.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.841 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 105.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 64.42 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -128.16 150.63 74.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 72.41 111.108 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.6 Cg_endo -69.77 132.25 22.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.12 112.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.03 111.063 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.869 0.366 . . . . 71.54 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -79.39 -178.3 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.44 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.19 138.81 4.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 61.02 112.512 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.24 178.03 18.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.471 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -112.64 153.86 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 73.44 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 38.1 t -120.25 141.19 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 70.3 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 36.7 t -97.51 154.57 17.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.853 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.4 tp -80.77 -54.84 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.914 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -38.12 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 65.12 110.902 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' O ' ' C ' ' A' ' 11' ' ' ASN . 91.0 m-70 -93.1 20.2 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.855 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.66 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.8 t30 -8.16 83.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.15 162.85 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 63.24 111.118 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 4.2 m -120.25 126.02 49.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' HIS . 88.1 m -130.74 112.66 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.42 111.101 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -128.2 163.01 25.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 73.54 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -124.09 125.16 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 60.22 110.919 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 95.05 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.31 110.901 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.53 -95.32 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 73.33 112.477 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.71 28.48 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 64.22 112.479 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.26 145.25 26.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 64.23 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -98.71 153.3 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 63.31 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.507 ' O ' HG23 ' A' ' 14' ' ' THR . 29.4 m-70 -129.48 168.2 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.9 t -130.4 133.8 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.23 111.129 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.84 149.87 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.54 111.136 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.24 145.78 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 63.35 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -100.34 121.81 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.89 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.99 70.2 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 60.54 112.478 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 62.6 p -77.53 123.75 27.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.03 110.857 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.82 -70.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.53 111.097 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.74 -69.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.62 -1.64 14.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 44.2 110.861 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 16.0 mmmt -65.59 -3.32 4.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.98 175.41 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 70.33 110.912 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -109.26 156.74 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 55.32 110.926 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.689 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.1 mmtt -118.55 -17.12 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.872 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -128.28 126.49 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 54.04 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -81.53 -16.82 50.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.853 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -52.3 160.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.55 110.867 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.93 155.44 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.84 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -126.98 168.26 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.856 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -129.15 141.65 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -133.74 125.88 29.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.922 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.43 102.64 12.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.51 110.87 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.38 -34.52 74.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.877 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -25.54 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 63.23 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.49 -5.24 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.01 46.17 27.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -134.93 150.06 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 74.5 110.902 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -108.48 137.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 73.44 111.156 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -131.21 144.63 51.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 42.53 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.524 ' O ' HG22 ' A' ' 54' ' ' THR . 2.6 m -118.71 -166.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.877 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.85 108.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.56 151.86 71.02 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.607 0.718 . . . . 70.54 111.133 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 132.47 23.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 62.13 112.323 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.146 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.327 . . . . 74.14 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -113.63 169.94 8.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.881 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.36 137.53 5.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 61.4 112.454 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.35 174.23 19.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 60.33 112.505 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.19 154.21 28.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 63.31 110.888 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 30.9 t -119.93 141.48 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.33 154.7 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.88 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.691 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.3 tp -81.34 -54.77 5.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -88.12 -44.91 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.662 ' O ' ' C ' ' A' ' 11' ' ' ASN . 38.6 m-70 -88.62 21.19 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.35 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.662 ' C ' ' O ' ' A' ' 10' ' ' HIS . 58.2 t30 -8.03 84.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 60.33 110.871 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -129.79 162.6 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.162 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m -120.27 126.11 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.875 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.7 m -130.15 111.74 12.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 22.4 111.15 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -127.54 151.36 48.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 65.34 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.36 127.49 51.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 70.34 110.952 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 94.78 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.909 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.71 -95.28 1.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 70.4 112.461 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.29 31.19 2.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 61.42 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.65 140.73 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 61.34 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.83 145.29 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.921 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -126.03 130.17 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.42 110.872 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 p -104.43 136.01 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 62.32 111.121 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -146.96 155.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.12 111.109 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.75 145.71 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.35 110.883 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -101.06 123.13 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.885 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.52 72.36 2.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.76 . . . . 35.44 112.443 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 57.9 p -80.11 124.54 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 63.41 110.89 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.88 -70.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 71.53 111.126 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.52 -69.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.34 111.074 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.3 -1.86 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 47.4 mmtt -64.62 -3.94 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.31 110.915 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 3.8 pttp -83.7 175.9 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.945 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.84 157.14 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.15 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -118.19 -17.15 9.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.873 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.85 127.32 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 52.42 110.834 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.8 p-10 -63.54 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 60.25 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -16.96 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 65.05 110.88 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -51.84 160.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 70.43 110.88 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.96 154.81 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.863 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.58 168.19 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.907 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -129.29 140.42 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.924 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -132.91 120.42 21.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.929 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.5 102.84 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.876 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 64.13 110.869 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.6 60.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.865 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -4.52 26.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.01 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp 50.86 40.03 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.905 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -134.76 153.34 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.3 t -108.08 141.52 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 60.11 111.142 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -132.0 144.6 50.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 43.34 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.522 ' O ' HG22 ' A' ' 54' ' ' THR . 4.0 m -120.73 -166.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 44.04 110.906 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.97 107.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.91 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.61 151.76 70.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 75.42 111.153 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.36 23.16 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 74.41 112.393 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 71.05 111.161 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 73.2 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -113.08 176.76 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.18 139.29 6.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.684 -0.769 . . . . 62.04 112.465 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.76 178.62 17.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 72.42 112.45 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.6 154.25 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 75.33 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 14.6 t -119.13 140.89 49.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -97.36 154.46 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.44 110.9 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -81.48 -55.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 73.11 110.918 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -89.24 -45.64 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.33 110.881 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.661 ' O ' ' C ' ' A' ' 11' ' ' ASN . 14.3 m-70 -90.2 22.57 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 63.13 110.842 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.661 ' C ' ' O ' ' A' ' 10' ' ' HIS . 24.0 p-10 -8.04 85.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.916 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -128.12 161.15 29.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 52.25 111.14 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.484 ' HB2' HG23 ' A' ' 24' ' ' VAL . 6.8 m -119.91 125.33 48.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.3 m -128.07 112.74 14.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 73.04 111.132 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -131.55 159.91 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.964 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -124.13 129.67 51.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -113.28 94.55 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.21 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.58 -94.97 1.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 41.12 112.467 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.56 28.03 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 33.21 112.505 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.28 147.82 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 71.44 110.901 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -102.37 149.02 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.874 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -123.49 167.68 13.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.849 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.52 135.45 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 60.41 111.16 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -148.82 146.63 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.14 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.73 147.31 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.897 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.72 123.59 43.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.839 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.82 58.12 4.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.458 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.3 m -62.41 124.12 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 60.24 110.894 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.6 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.54 111.125 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.28 -69.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 53.24 111.128 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.09 -1.44 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.32 110.93 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 33.4 mmtm -63.86 -4.27 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.885 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.64 174.17 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.893 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.7 158.07 17.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.908 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -116.4 -17.01 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.94 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.3 127.94 43.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.873 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' CYS . 10.0 p-10 -64.22 -29.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.82 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.0 -14.79 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -54.2 161.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.4 156.08 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 72.2 110.901 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -129.45 170.79 13.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.914 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.58 141.31 50.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.2 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -127.29 127.91 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.923 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -85.25 94.16 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 71.12 110.864 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.85 -21.95 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.91 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -82.72 -31.72 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 61.13 110.863 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -101.03 -6.21 24.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.876 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt 60.12 38.92 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.856 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.22 154.27 46.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -106.93 141.39 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.13 111.097 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -132.06 144.95 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.524 ' O ' HG22 ' A' ' 54' ' ' THR . 13.9 m -122.06 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.849 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.72 108.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.4 151.86 70.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 62.14 111.107 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.3 23.12 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 71.35 112.381 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 64.12 111.136 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.788 0.328 . . . . 74.4 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -103.07 175.75 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 54.43 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.87 136.78 5.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.727 . . . . 54.4 112.516 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 175.72 17.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 75.21 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.81 152.32 29.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 73.12 110.839 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 47.9 t -120.9 141.16 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.869 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -96.86 154.79 17.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 75.31 110.835 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -79.79 -53.53 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.31 110.928 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -38.33 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.922 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 11' ' ' ASN . 91.6 m-70 -92.72 19.89 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.65 ' C ' ' O ' ' A' ' 10' ' ' HIS . 50.3 t30 -8.99 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.917 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -131.58 163.55 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.03 111.165 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.1 m -117.63 128.19 54.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.878 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' HIS . 44.2 m -132.7 113.87 13.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.163 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -133.43 163.02 30.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.893 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -119.15 129.67 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.949 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 94.35 4.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.899 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.9 -94.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.81 24.08 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.34 112.508 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.12 152.52 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 63.42 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -99.44 153.59 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.857 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.415 ' O ' HG23 ' A' ' 14' ' ' THR . 32.4 m-70 -131.78 164.42 26.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.847 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 t -116.32 137.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 53.23 111.17 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG12 HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -143.08 147.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 64.12 111.116 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.64 138.84 37.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -98.04 122.47 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 63.51 110.886 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.87 64.35 4.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 63.6 p -69.12 124.49 23.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 72.44 110.89 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.22 -70.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.114 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.96 -69.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.071 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -113.6 -1.83 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 64.42 110.868 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 7.8 mmtp -65.24 -3.19 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 60.13 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.98 176.0 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.93 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.65 156.25 19.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.7 mmtt -118.42 -16.1 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.16 125.85 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 62.02 110.841 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.71 -29.09 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 61.11 110.843 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mmt-85 -82.35 -16.22 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.896 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -53.13 158.96 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.838 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 156.08 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 63.54 110.855 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.12 169.04 13.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.2 110.932 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -129.33 141.63 51.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 52.42 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' HD1' HG13 ' A' ' 50' ' ' VAL . 53.7 t80 -129.87 126.75 38.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 62.35 110.864 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -85.13 96.82 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 52.41 110.86 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.82 -25.59 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 62.42 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.24 -30.08 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 74.03 110.87 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.69 -0.52 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 51.69 44.32 29.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -134.65 153.17 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.914 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -109.88 140.4 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.54 111.122 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -132.41 144.9 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.54 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.535 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 m -118.08 -166.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.1 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.85 106.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.39 151.35 72.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.696 . . . . 70.51 111.163 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 54.0 Cg_endo -69.69 132.2 22.94 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.68 2.254 . . . . 75.0 112.38 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 34.2 111.175 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 74.21 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -91.93 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.858 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.13 138.69 6.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 72.24 112.527 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.59 -177.01 14.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 70.52 112.468 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -121.35 153.36 37.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 72.23 110.892 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 29.2 t -120.24 141.1 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.24 110.877 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.19 157.19 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.829 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.652 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -81.62 -53.89 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 63.41 110.881 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -46.37 8.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.856 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.661 ' O ' ' C ' ' A' ' 11' ' ' ASN . 34.6 m-70 -89.48 22.22 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 72.25 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.661 ' C ' ' O ' ' A' ' 10' ' ' HIS . 22.6 p-10 -10.14 85.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.913 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -128.23 161.67 28.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 54.23 111.154 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' HB2' HG23 ' A' ' 24' ' ' VAL . 15.6 m -118.66 127.17 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 65.25 110.86 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -130.63 111.92 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.084 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.2 158.73 39.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.926 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -122.87 130.21 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.79 94.52 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.914 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.78 -94.88 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 64.31 112.433 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 28.18 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 31.21 112.471 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.39 147.21 28.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 53.3 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -102.01 144.69 30.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.94 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -117.69 167.69 11.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 65.34 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.9 133.07 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 62.33 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -146.71 147.19 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 72.32 111.113 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -97.53 145.1 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.912 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' N ' HD22 ' A' ' 25' ' ' ASN . 1.1 m -96.85 122.66 40.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 60.33 110.919 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.44 62.78 4.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 71.42 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 78.5 p -66.87 124.15 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 50.44 110.83 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.11 -70.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.06 -69.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -1.23 13.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 18.0 mmtp -64.73 -4.33 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.31 110.903 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.09 175.15 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.881 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.15 157.59 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 63.24 110.872 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -117.78 -16.07 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.52 110.922 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.4 126.14 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.31 110.9 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' CYS . 16.2 p-10 -62.7 -29.84 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -82.66 -16.5 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.889 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -51.91 160.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.868 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.76 156.33 18.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 71.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -127.42 170.34 12.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 65.5 110.88 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -129.65 141.62 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 71.24 110.932 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' HD1' HG13 ' A' ' 50' ' ' VAL . 43.5 t80 -131.13 121.63 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.932 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -84.54 101.68 12.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.855 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.31 -37.25 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.899 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -30.4 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 72.03 110.85 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 50.1 m170 -102.11 -4.5 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 72.31 110.843 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 49.21 20.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 65.02 110.902 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HG2' ' HB3' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -137.26 153.51 50.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.902 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.421 HG13 ' HD1' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -106.09 140.1 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.53 111.157 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -132.3 144.49 50.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.893 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.548 ' O ' HG22 ' A' ' 54' ' ' THR . 6.9 m -120.7 -166.37 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 62.13 110.898 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 106.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 70.32 110.901 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.89 151.35 71.12 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.701 . . . . 63.34 111.185 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.3 23.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 52.44 112.291 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.24 111.151 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.845 0.355 . . . . 65.15 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 15.7 p90 -87.31 174.53 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.87 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.64 138.17 6.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 73.24 112.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 175.88 18.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 61.32 112.484 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -115.38 153.11 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 51.25 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 28.4 t -120.26 141.12 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 44.31 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.4 155.82 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.881 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.697 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.1 tp -81.41 -53.77 6.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 64.41 110.939 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -88.05 -45.31 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.35 110.91 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.657 ' O ' ' C ' ' A' ' 11' ' ' ASN . 36.3 m-70 -88.17 20.77 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.825 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.657 ' C ' ' O ' ' A' ' 10' ' ' HIS . 55.6 t30 -8.64 83.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.887 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -131.15 163.12 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 62.33 111.11 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 8.3 m -118.96 126.66 52.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -130.72 113.7 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.132 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 2' ' ' PHE . 6.6 p90 -131.99 148.22 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.938 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.57 134.52 55.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 43.41 110.965 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -121.57 94.85 4.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.912 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.7 -95.88 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 74.55 112.518 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.35 30.43 2.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 23.21 112.483 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.46 141.99 25.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 31.41 110.867 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.15 140.97 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.899 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -119.39 128.5 54.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.03 135.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 71.22 111.133 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -145.92 152.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.23 111.148 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.75 146.66 24.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 44.11 110.931 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -102.15 123.22 45.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 62.25 110.954 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.88 72.18 2.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 64.23 112.471 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 56.3 p -79.91 124.65 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 61.04 110.841 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.81 -71.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 31.35 111.138 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.39 -70.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.08 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.19 -2.0 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 60.31 110.878 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 19.6 mmtp -64.44 -4.07 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 55.53 110.914 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -83.71 176.09 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.897 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.7 156.87 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 54.42 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.697 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.8 mmtt -118.91 -15.22 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 73.11 110.903 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 125.92 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.83 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.6 t70 -62.75 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 70.04 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.25 -16.48 49.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.01 110.867 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -51.88 160.05 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.875 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.31 155.84 18.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.55 110.833 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -127.53 168.33 15.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.875 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -129.12 141.07 51.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.892 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -129.58 124.08 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.65 100.62 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 75.5 110.887 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -68.13 -42.94 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -67.12 -22.05 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.13 110.862 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.07 -5.89 20.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.88 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt 53.4 43.53 31.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.887 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -134.95 153.53 52.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 70.51 110.853 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.4 t -108.41 140.31 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 72.24 111.116 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.98 145.39 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.815 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' THR . 4.5 m -120.71 -166.28 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.875 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.11 107.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 53.02 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.85 151.66 71.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.515 0.674 . . . . 65.4 111.163 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 132.4 23.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 75.14 112.381 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 54.34 111.149 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.83 0.348 . . . . 74.12 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.479 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.2 p90 -100.68 -1.81 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.884 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.6 135.2 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 74.4 112.515 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.41 -179.78 16.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 74.21 112.493 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -112.61 153.58 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 51.42 110.885 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 29.1 t -120.49 141.54 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 51.13 110.905 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -99.55 155.74 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.817 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' A' ' 35' ' ' LYS . 1.6 tp -81.07 -54.93 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.899 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -39.62 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.881 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.652 ' O ' ' C ' ' A' ' 11' ' ' ASN . 92.6 m-70 -92.14 20.13 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.854 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.652 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.0 t30 -9.01 82.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.891 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.42 163.19 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 70.44 111.168 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.5 m -119.27 128.45 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.883 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' HIS . 82.1 m -130.54 113.35 14.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 71.01 111.146 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -127.53 163.76 23.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 70.54 110.954 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -125.08 120.35 31.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 72.5 110.938 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 94.8 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.925 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.21 -94.35 1.79 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 73.41 112.502 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.38 29.28 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 75.15 112.512 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.09 140.29 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 74.31 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -93.63 153.73 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.915 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 14' ' ' THR . 40.4 m-70 -130.32 168.45 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.862 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -130.88 129.89 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 51.13 111.108 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -142.03 150.53 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 50.24 111.133 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 146.2 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -101.06 122.72 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 60.5 110.876 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.62 71.97 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 60.14 112.471 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.538 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 64.0 p -79.9 124.03 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 60.13 110.879 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.98 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 60.21 111.124 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.28 -69.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 35.44 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.45 -1.79 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.86 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 21.6 mmtt -64.73 -3.91 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.867 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.58 175.9 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.896 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.71 157.26 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.43 110.902 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.725 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -119.68 -15.46 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.892 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.55 124.51 38.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 65.23 110.822 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' CYS . 11.6 p-10 -62.03 -30.6 71.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.899 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.34 -16.69 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.854 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -51.61 160.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 65.13 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 155.36 19.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 51.25 110.847 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.65 170.0 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 62.44 110.888 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -128.77 141.28 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -134.56 123.67 24.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 71.53 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 47' ' ' HIS . 83.1 m-20 -85.0 98.87 10.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 61.32 110.873 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.09 -24.95 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.899 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -81.6 -30.28 32.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 71.52 110.853 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -99.24 -3.77 33.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 52.34 110.903 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 54.39 44.94 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.82 152.87 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.858 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.2 t -110.14 140.12 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.168 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.28 144.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' O ' HG22 ' A' ' 54' ' ' THR . 4.3 m -120.77 -165.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.821 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.88 108.04 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.939 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.72 151.83 71.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 71.31 111.174 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 132.41 23.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 62.15 112.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 71.01 111.131 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.839 0.352 . . . . 74.24 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.0 p90 -99.08 -2.31 37.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.83 134.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 53.43 112.47 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.35 -179.54 16.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 62.44 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -112.45 152.59 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.382 . . . . 72.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 36.2 t -121.51 141.45 51.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -97.47 154.65 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.865 -179.835 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.2 tp -80.6 -53.77 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 70.14 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -44.6 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.882 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 37.9 m-70 -88.87 21.27 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 53.1 t30 -8.51 84.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.5 163.1 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 64.1 111.13 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -118.45 126.36 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.899 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' HIS . 22.3 m -130.6 114.28 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 63.23 111.119 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -129.25 167.51 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -125.33 127.75 47.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.04 94.92 5.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.933 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.28 -95.17 1.58 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 53.43 112.468 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.84 26.63 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 65.32 112.522 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.98 151.02 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -102.21 153.59 19.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.936 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' HG23 ' A' ' 14' ' ' THR . 21.7 m-70 -132.53 167.87 19.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 54.51 110.871 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 t -116.68 137.29 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.096 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -142.86 149.08 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 51.13 111.117 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.36 139.36 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 72.04 110.884 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -99.11 121.94 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.892 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.63 68.95 3.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 62.42 112.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.541 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 65.5 p -74.11 124.4 26.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 72.31 110.859 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.44 -70.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 75.45 111.097 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.03 -69.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 71.54 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -113.65 -1.8 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 64.43 110.861 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 2.7 mmtp -65.5 -2.96 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.853 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 1.5 pttt -83.83 176.02 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.22 157.04 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 70.43 110.884 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -118.25 -16.54 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.927 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.87 127.77 42.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 55.33 110.872 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.4 t70 -63.23 -30.23 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 71.32 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -81.79 -16.22 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.873 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -52.02 158.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 64.33 110.865 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 155.21 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.855 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -125.71 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 63.54 110.848 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -129.0 141.66 51.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 53.24 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -139.93 124.17 17.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 73.42 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 71.45 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.43 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -21.78 40.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.859 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.48 -4.51 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.884 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 49.98 41.26 22.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.83 145.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 54.22 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.547 HG21 HG12 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -108.86 139.74 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 53.24 111.134 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.56 144.71 50.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 55.24 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.545 ' O ' HG22 ' A' ' 54' ' ' THR . 3.0 m -115.92 -166.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.91 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.15 106.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.55 151.64 73.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.495 0.664 . . . . 71.14 111.176 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.1 Cg_endo -69.81 132.34 23.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 53.21 112.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 64.44 111.115 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.781 0.324 . . . . 73.3 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.5 p90 -100.03 -1.49 36.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.877 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.37 135.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 74.22 112.469 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.13 -178.07 15.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 65.23 112.482 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.69 154.05 26.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 64.15 110.899 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 25.3 t -119.84 141.5 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 54.24 110.849 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -98.04 154.35 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.867 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.2 tp -81.48 -55.37 4.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.912 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -37.12 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.877 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 85.3 m-70 -94.52 21.0 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 63.44 110.845 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 60.4 t30 -7.82 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.92 162.64 29.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 61.44 111.177 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HB2' HG23 ' A' ' 24' ' ' VAL . 1.7 m -120.1 128.42 53.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 22' ' ' HIS . 41.3 m -130.41 113.81 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 65.44 111.152 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -128.12 166.27 18.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -126.27 120.0 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.2 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.06 94.51 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.891 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.9 -94.24 1.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.764 . . . . 74.54 112.508 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.91 28.1 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 43.44 112.451 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.85 141.69 24.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 74.45 110.884 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -95.17 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 54.25 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' HG23 ' A' ' 14' ' ' THR . 19.7 m-70 -131.07 168.37 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.863 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -128.17 133.28 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.116 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.43 149.82 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.133 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.87 149.18 21.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 63.35 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -104.09 122.32 45.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 72.11 110.887 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.41 73.95 2.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 74.33 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 60.8 p -81.85 124.0 29.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 35.3 110.87 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.18 -70.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.136 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.16 -70.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.21 111.144 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.55 -1.16 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.888 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 34.4 mmtm -65.26 -3.77 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 64.53 110.901 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 175.44 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.883 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.34 156.74 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -117.94 -17.6 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.51 110.95 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -128.17 127.42 42.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' CYS . 9.6 t70 -63.6 -27.87 69.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.852 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -82.17 -16.55 49.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.903 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -52.18 158.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.844 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.08 156.25 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -130.57 170.52 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.906 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -130.51 143.64 50.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -137.7 126.7 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.907 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.74 106.71 16.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 73.52 110.835 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.5 -34.71 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -21.46 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 65.3 110.824 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -99.46 -4.99 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.86 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 48.88 40.46 16.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.81 143.87 47.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.873 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.22 141.82 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 61.11 111.133 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.79 145.52 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 44.43 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.513 ' O ' HG22 ' A' ' 54' ' ' THR . 4.6 m -116.69 -165.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.902 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.39 107.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -124.2 151.2 65.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 52.32 111.142 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.2 22.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.739 2.293 . . . . 65.51 112.313 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.11 111.142 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.35 . . . . 64.1 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.7 p90 -99.77 -1.42 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.23 110.89 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.17 135.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 65.22 112.499 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.33 -177.1 15.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 71.25 112.511 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -112.69 154.5 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 73.42 110.857 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 21.6 t -119.7 140.98 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 60.01 110.878 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 44.9 t -97.46 155.99 16.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.874 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.4 tp -82.44 -55.29 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 73.11 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -42.78 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.913 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.669 ' O ' ' C ' ' A' ' 11' ' ' ASN . 74.2 m-70 -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.878 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.669 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.5 p-10 -8.0 85.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.842 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -127.5 160.56 31.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.55 111.153 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB2' HG23 ' A' ' 24' ' ' VAL . 4.3 m -120.09 125.67 48.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 55.13 110.875 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 22' ' ' HIS . 42.0 m -125.66 111.66 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 41.3 111.171 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -126.15 162.94 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.923 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.19 119.0 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 61.41 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.14 94.89 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.873 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.14 -94.28 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 74.11 112.472 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.07 29.52 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 64.15 112.505 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.16 139.89 22.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 74.24 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -93.43 153.79 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 14' ' ' THR . 29.6 m-70 -129.76 168.77 16.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.869 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -132.0 129.64 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.1 111.096 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -142.99 149.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.55 111.1 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -95.56 148.7 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.25 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' N ' HD22 ' A' ' 25' ' ' ASN . 1.0 OUTLIER -100.94 123.0 44.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 62.12 110.876 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.04 67.6 3.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 73.32 112.52 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 72.9 p -73.26 124.22 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 70.54 110.865 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.9 -70.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.099 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.5 -69.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.078 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.63 -0.89 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.5 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 2.9 mmtp -64.74 -4.53 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.922 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 174.25 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.872 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.7 157.46 19.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 64.21 110.873 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -115.83 -18.95 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.881 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -127.83 129.55 47.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.821 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.2 p-10 -64.5 -27.13 68.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.87 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -82.49 -16.72 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -50.94 159.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.49 156.16 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 62.23 110.838 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -131.96 170.77 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.858 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -130.67 143.65 50.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -139.56 125.66 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 72.41 110.957 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.73 108.6 17.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -32.83 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 65.25 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -23.99 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 52.04 110.865 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.57 -4.9 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 73.24 110.813 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.39 44.83 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 142.02 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.25 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -106.02 139.81 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 61.11 111.127 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.73 145.44 51.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.907 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.9 m -117.18 -165.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.13 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.31 107.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 63.03 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -123.97 151.31 64.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.563 0.697 . . . . 73.33 111.123 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 132.3 22.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 53.11 112.325 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.1 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.832 0.348 . . . . 73.04 110.892 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.6 p90 -98.58 -1.33 41.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.871 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.44 135.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 73.12 112.472 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.55 -179.35 15.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 51.41 112.541 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -112.63 153.38 27.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 72.15 110.897 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 19.6 t -120.36 141.56 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.1 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.48 155.16 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 75.54 110.86 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.0 tp -81.54 -53.87 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 60.2 110.932 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -87.37 -44.84 11.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.951 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.655 ' O ' ' C ' ' A' ' 11' ' ' ASN . 33.6 m-70 -89.03 20.66 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.88 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.655 ' C ' ' O ' ' A' ' 10' ' ' HIS . 30.5 t30 -8.32 84.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 50.11 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.51 163.67 26.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.34 111.165 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.9 m -119.58 120.75 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.881 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.4 HG22 HD22 ' A' ' 21' ' ' ASN . 13.2 m -123.68 113.37 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 65.05 111.135 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.4 160.33 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -124.34 120.36 31.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.963 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 94.82 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.845 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.25 -94.67 1.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 74.5 112.464 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.17 30.49 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -149.32 140.48 23.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 52.55 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.4 HD22 HG22 ' A' ' 14' ' ' THR . 2.0 m120 -90.28 153.91 20.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -139.95 133.64 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.874 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -105.19 135.14 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.3 111.108 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -142.32 150.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.22 111.123 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 139.7 30.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -97.71 122.44 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 75.32 110.902 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.51 83.85 1.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 65.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 16.2 m -90.6 125.83 35.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 52.04 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.42 -69.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.151 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.58 -70.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.13 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.22 1.53 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 72.23 110.889 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 12.3 mmtp -63.45 -6.14 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.906 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 5.8 pttp -83.02 176.3 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.875 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.08 157.43 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.859 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.6 mmtt -118.7 -14.38 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.948 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.22 127.42 41.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.852 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.5 p-10 -62.92 -29.69 70.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.64 -17.05 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.899 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -52.07 159.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.61 155.02 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.26 169.64 12.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.864 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.96 141.25 51.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.855 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -136.59 122.59 20.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 74.52 110.932 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.59 103.22 13.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.9 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.38 -32.72 74.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.896 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.76 -21.49 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.885 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.45 -4.49 28.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 72.34 110.898 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp 50.14 40.81 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.91 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.27 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.4 t -109.99 139.58 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.099 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -132.05 144.68 50.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.51 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' THR . 8.0 m -121.96 -166.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.22 110.86 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.65 108.05 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 52.43 110.924 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.07 151.93 69.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 52.51 111.145 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 132.36 23.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 51.35 112.35 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 54.12 111.13 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.823 0.344 . . . . 54.21 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.8 173.93 11.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.11 137.95 6.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 62.11 112.516 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.37 175.2 19.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 74.34 112.516 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -113.03 153.1 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 75.22 110.913 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 47.0 t -120.51 140.23 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 65.45 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -96.96 155.94 16.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.871 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.8 tp -80.71 -52.82 7.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 70.42 110.891 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.79 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.906 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 11' ' ' ASN . 32.6 m-70 -87.89 20.66 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 65.12 110.864 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.658 ' C ' ' O ' ' A' ' 10' ' ' HIS . 56.7 t30 -8.57 82.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.3 110.921 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -132.01 162.65 30.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 51.33 111.127 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 m -119.5 128.26 53.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 22' ' ' HIS . 94.3 m -131.1 113.89 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.04 111.186 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -129.47 154.95 46.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 72.24 110.933 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.87 131.35 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.955 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -115.3 95.18 5.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.07 -95.98 1.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 71.31 112.492 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.41 28.1 3.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 53.35 112.465 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.86 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 71.54 110.915 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -103.7 144.17 31.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.22 110.918 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 14' ' ' THR . 19.1 m-70 -117.31 167.64 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 53.22 110.847 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.9 t -130.89 131.7 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 60.33 111.075 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.2 146.92 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.153 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.69 148.2 22.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.841 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 121.75 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.878 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.11 65.96 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.435 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.578 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 64.8 p -72.4 124.22 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 44.21 110.862 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.42 -70.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 54.05 111.08 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.93 -69.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 71.35 111.102 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -1.5 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.922 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 12.3 mmmt -65.71 -3.02 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 65.35 110.915 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.6 175.71 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.875 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.81 156.26 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.895 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.659 ' HA ' HD13 ' A' ' 8' ' ' LEU . 4.6 mmtt -117.81 -17.11 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 51.45 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.87 126.73 40.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.816 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 6' ' ' CYS . 2.7 t70 -61.82 -27.98 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 73.15 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -83.44 -16.06 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 61.21 110.875 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.1 156.43 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.55 156.61 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 63.01 110.851 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 23.6 p -135.56 172.98 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.87 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -128.07 158.3 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 64.14 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -142.38 123.84 14.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.975 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.65 101.01 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -67.64 -42.62 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 53.44 110.851 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -68.06 -21.93 64.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.923 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -104.89 -4.19 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.881 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.13 44.04 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 61.24 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.89 150.22 50.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -110.58 139.4 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 52.53 111.142 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -130.43 145.73 51.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.888 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.511 ' O ' HG22 ' A' ' 54' ' ' THR . 4.6 m -119.42 -165.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.2 110.868 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 107.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.913 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -124.72 150.52 65.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 45.44 111.133 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.16 22.8 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 73.41 112.329 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.128 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 62.4 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -95.91 174.37 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.892 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.78 138.03 4.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 75.24 112.488 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.3 179.06 17.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 64.42 112.505 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -112.5 153.97 26.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.379 . . . . 70.04 110.89 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 26.5 t -120.09 141.56 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.891 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -98.16 154.01 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 65.24 110.845 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD22 ' O ' ' A' ' 35' ' ' LYS . 3.0 tp -81.28 -54.41 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 52.21 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -88.17 -44.79 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.905 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.663 ' O ' ' C ' ' A' ' 11' ' ' ASN . 19.3 m-70 -88.86 21.21 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.872 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' C ' ' O ' ' A' ' 10' ' ' HIS . 59.8 t30 -7.67 84.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.02 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.01 162.78 27.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 52.21 111.145 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 m -119.98 127.24 52.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.872 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 22' ' ' HIS . 57.6 m -130.64 112.55 13.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.14 111.131 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -129.55 165.82 20.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 64.11 110.93 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.12 126.01 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 63.13 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.49 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.24 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.12 -95.08 1.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 71.13 112.522 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.12 27.14 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 63.54 112.452 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.09 149.5 31.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 65.24 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -101.51 153.63 19.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.04 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' THR . 26.4 m-70 -129.76 167.93 17.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 63.44 110.833 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -127.97 132.8 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 72.02 111.156 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.35 153.31 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.34 24.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 62.12 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -100.82 121.37 41.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 42.1 110.853 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.7 69.93 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 73.43 112.482 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 80.0 p -73.29 122.45 22.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.923 0.392 . . . . 62.1 110.83 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.45 -69.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.13 111.102 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.03 -68.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -1.5 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -64.49 -3.85 3.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.919 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -81.8 173.53 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.864 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 1.2 m -109.94 155.73 21.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -117.66 -18.43 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 63.3 110.929 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.85 128.12 44.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.815 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' CYS . 13.0 p-10 -63.91 -29.13 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.864 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -16.49 51.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.862 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.27 164.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.875 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -109.11 157.04 19.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.871 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -130.03 167.21 18.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -128.8 139.9 51.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -128.0 126.16 40.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.957 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -83.45 97.0 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 53.33 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.85 -23.6 64.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.01 110.878 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.3 -30.31 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.826 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.6 -6.98 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.03 110.811 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt 59.88 37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 62.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.48 153.21 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 64.35 110.854 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -109.81 137.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 70.2 111.148 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.66 145.86 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.856 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.9 m -116.29 -167.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 45.15 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 2.4 pp0? -65.89 112.3 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 41.11 110.91 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.57 152.47 74.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 72.53 111.128 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.34 23.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 75.3 112.365 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.111 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.338 . . . . 73.25 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.3 p90 -101.24 -1.29 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 63.15 110.884 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.62 135.53 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.32 112.483 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.42 -177.18 15.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 71.4 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -112.28 153.81 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 74.35 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 20.0 t -120.12 141.16 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.33 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -98.3 154.88 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.11 110.874 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 35' ' ' LYS . 2.1 tp -80.9 -55.49 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.25 110.876 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -89.38 -45.65 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.33 110.853 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.664 ' O ' ' C ' ' A' ' 11' ' ' ASN . 11.2 m-70 -90.87 23.08 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.837 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.664 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.0 p-10 -8.88 87.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.852 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -126.29 161.15 28.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 62.31 111.122 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.519 ' HB2' HG23 ' A' ' 24' ' ' VAL . 4.5 m -120.35 120.38 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 60.51 110.909 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m -121.29 111.16 17.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -127.45 161.23 29.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -126.15 118.31 24.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 94.62 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.38 -94.01 1.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 53.04 112.468 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.2 29.93 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 64.41 112.475 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 140.77 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 72.14 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.23 154.8 19.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -135.95 133.92 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.872 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -105.11 130.52 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 71.03 111.122 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -141.96 151.92 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 65.23 111.117 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -94.42 146.34 24.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.936 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' N ' HD22 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -99.37 122.87 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.868 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.5 68.27 3.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 73.11 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.558 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 p -74.82 124.11 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 72.33 110.837 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.2 -70.47 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 45.25 111.099 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.9 -69.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.078 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.37 -1.84 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 11.0 mmtm -64.21 -4.7 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.2 175.18 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.9 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 50.32 110.892 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.666 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -116.76 -19.03 10.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 71.11 110.892 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -126.98 128.59 46.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 60.44 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 6' ' ' CYS . 5.1 t70 -64.44 -29.99 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 53.2 110.898 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -16.58 51.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.856 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -51.71 161.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.888 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.55 155.17 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.844 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.44 170.72 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.904 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -129.19 141.03 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 64.3 110.91 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -136.66 122.77 20.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.956 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -84.45 102.4 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.844 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.72 -30.22 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.876 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -25.28 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -4.54 27.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.89 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 44.46 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.85 150.74 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -108.91 138.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.086 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -131.97 144.55 50.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 75.34 110.853 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.554 ' O ' HG22 ' A' ' 54' ' ' THR . 5.5 m -121.28 -165.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 70.43 110.874 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 106.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.11 151.43 71.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.561 0.696 . . . . 72.44 111.178 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 132.45 23.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 61.01 112.325 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 63.21 111.13 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 55.21 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.483 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.3 p90 -100.22 -1.36 36.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 73.22 110.929 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.29 135.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 40.23 112.507 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.94 -175.49 15.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.56 153.96 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 72.14 110.928 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 17.9 t -120.73 140.71 51.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -98.06 155.65 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.86 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 35' ' ' LYS . 1.6 tp -81.71 -56.04 4.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.947 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -89.69 -41.25 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.86 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 11' ' ' ASN . 79.7 m-70 -93.68 21.86 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.851 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.668 ' C ' ' O ' ' A' ' 10' ' ' HIS . 26.9 p-10 -8.3 85.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 74.22 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -126.65 161.94 26.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 64.31 111.134 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HB2' HG23 ' A' ' 24' ' ' VAL . 3.3 m -119.72 124.61 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 54.11 110.875 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -125.36 110.84 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.127 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -127.83 166.25 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -126.66 118.98 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.76 94.58 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.929 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.98 -94.13 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 65.42 112.502 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.15 28.23 3.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 50.13 112.507 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -149.6 142.36 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 63.13 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.64 153.44 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -129.63 168.66 16.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -130.12 130.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 73.44 111.09 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -142.43 152.48 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 70.1 111.171 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -98.28 146.79 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.944 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' N ' HD22 ' A' ' 25' ' ' ASN . 1.1 m -99.62 123.26 43.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.87 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.36 67.47 3.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 73.44 112.456 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 70.3 p -72.91 124.53 25.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 72.1 110.892 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.37 -70.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 41.41 111.09 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.61 -69.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 72.41 111.105 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.45 -1.06 13.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.896 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 32.2 mmtm -64.55 -4.43 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 62.51 110.878 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 174.78 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 65.24 110.918 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.26 159.16 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 53.31 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.716 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -118.34 -17.2 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.34 110.88 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -126.3 125.47 42.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 70.42 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' CYS . 2.1 t70 -63.69 -31.37 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 54.34 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -81.62 -16.33 51.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 71.3 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -51.87 166.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 75.05 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -109.31 156.83 19.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.864 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.78 171.62 12.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.831 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -128.32 141.58 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.952 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -137.43 123.07 19.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.932 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.93 103.74 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.911 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -65.27 -34.39 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.872 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -21.54 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.31 110.881 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -98.61 -4.88 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.848 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp 49.33 39.62 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.877 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.61 153.14 52.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -109.44 141.19 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.43 111.141 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.44 145.08 50.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 61.25 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' HG22 ' A' ' 54' ' ' THR . 6.6 m -121.77 -165.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.883 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 108.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.54 110.887 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -125.82 151.99 71.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 74.34 111.126 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.739 2.293 . . . . 62.21 112.351 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.121 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 73.15 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 16.0 p90 -84.76 174.64 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.89 139.22 6.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 63.4 112.492 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.08 -179.57 16.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 52.12 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.96 152.8 33.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 63.55 110.883 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 34.3 t -120.44 141.3 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.881 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -98.16 155.56 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 70.04 110.867 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.7 tp -81.18 -53.44 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.952 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -88.12 -45.16 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 11' ' ' ASN . 64.8 m-70 -88.08 20.82 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.897 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.658 ' C ' ' O ' ' A' ' 10' ' ' HIS . 57.1 t30 -8.61 83.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 65.21 110.882 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.79 163.05 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 54.21 111.14 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 10.6 m -119.13 127.25 53.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.877 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -131.02 113.67 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 63.42 111.106 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 2' ' ' PHE . 5.6 p90 -132.79 148.82 52.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -122.02 135.32 54.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.927 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -123.17 94.84 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.881 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.2 -95.48 1.05 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 74.03 112.509 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.34 29.84 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 54.34 112.463 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.67 142.7 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.11 110.897 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.17 141.24 29.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -118.94 128.77 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.87 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -104.83 134.43 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 70.31 111.146 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -146.19 155.65 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.118 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.91 146.49 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.903 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -100.86 121.73 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 55.24 110.857 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.04 69.76 2.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 52.41 112.493 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.595 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 80.2 p -73.57 122.54 22.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 63.34 110.876 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.29 -69.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 62.22 111.109 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.14 -68.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 64.15 111.077 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 -1.88 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.926 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -64.21 -3.93 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 65.43 110.885 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -81.85 174.0 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.877 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 1.2 m -109.49 155.12 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -117.85 -17.98 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.888 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -127.52 127.03 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.14 110.844 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.7 t70 -62.42 -28.64 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 72.24 110.835 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -16.83 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.856 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -51.93 159.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.63 156.06 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.15 110.88 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -127.47 167.46 16.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.909 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.19 139.98 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.895 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -128.41 124.34 36.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.89 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.85 101.75 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 75.51 110.852 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.74 -42.82 81.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -67.91 -22.01 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 71.14 110.865 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -104.62 -4.33 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.851 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 50.58 43.59 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 72.3 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -135.11 152.7 51.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 61.54 110.896 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 ' HB2' ' A' ' 13' ' ' CYS . 1.1 t -108.87 136.95 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.41 111.137 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -131.98 145.98 51.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.3 110.872 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.4 m -115.87 -167.61 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.842 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 2.5 pp0? -66.05 112.26 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.01 110.891 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.26 152.56 73.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 71.42 111.144 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 132.47 23.44 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.671 2.247 . . . . 54.34 112.372 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 64.22 111.161 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.329 . . . . 74.2 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.492 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.6 p90 -102.28 -1.62 30.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.19 135.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 61.12 112.51 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 -178.71 15.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 72.12 112.455 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -112.73 153.04 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 72.41 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 35.7 t -120.88 141.34 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 53.43 110.837 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 40.0 t -97.3 154.39 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 51.43 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 35' ' ' LYS . 2.2 tp -80.71 -54.93 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -36.74 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 44.22 110.895 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.653 ' O ' ' C ' ' A' ' 11' ' ' ASN . 85.1 m-70 -94.51 20.93 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.856 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.653 ' C ' ' O ' ' A' ' 10' ' ' HIS . 58.4 t30 -8.39 84.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.921 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -130.33 163.09 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.142 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -119.8 125.18 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.857 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' HIS . 1.9 m -127.78 112.3 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 61.42 111.133 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -126.62 160.91 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 65.34 110.91 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -124.45 118.0 25.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -102.01 94.71 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 75.03 110.894 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.22 -93.68 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.496 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.42 31.79 2.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.484 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -149.2 136.01 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 73.01 110.889 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.39 133.47 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.901 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' THR . 20.4 m-70 -115.24 168.14 10.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.856 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -130.24 135.27 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.5 111.141 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' CB ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -141.15 155.72 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.21 111.135 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.66 142.71 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.897 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -99.39 122.36 42.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.882 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.19 70.44 2.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 51.34 112.516 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 61.6 p -78.25 124.2 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 62.43 110.857 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.43 -71.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 70.51 111.133 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.63 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 53.12 111.106 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -113.27 -1.95 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 74.51 110.887 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 14.7 mmtm -65.06 -3.57 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.79 176.42 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 61.34 110.909 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.18 157.22 18.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 62.11 110.887 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -118.74 -17.64 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 62.13 110.924 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.91 127.4 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 60.22 110.839 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' CYS . 12.2 p-10 -63.29 -30.01 71.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 54.04 110.851 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -16.55 51.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.847 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -52.35 160.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 75.25 110.832 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.73 155.61 19.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.822 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.97 169.83 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 62.21 110.877 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -128.39 141.59 51.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.911 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -137.41 128.14 27.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.947 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -83.92 105.03 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.16 -39.09 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.897 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -80.86 -20.11 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 71.4 110.887 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.26 -7.0 21.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.822 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.7 48.62 22.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.856 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -134.47 146.78 50.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.94 134.13 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.23 111.107 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -131.51 144.82 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 m -119.41 -166.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.863 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.49 106.35 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.924 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -126.44 151.23 72.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 72.45 111.141 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.8 Cg_endo -69.74 132.32 23.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.685 2.257 . . . . 73.44 112.352 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 63.14 111.123 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 71.43 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -85.11 175.77 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.895 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.11 144.67 12.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 61.42 112.475 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 179.56 17.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 52.44 112.507 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -117.07 153.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 63.4 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 20.0 t -121.11 140.19 52.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.924 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 27.8 t -97.32 154.48 17.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.842 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 35' ' ' LYS . 3.2 tp -81.26 -55.06 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.904 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -38.11 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.886 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.669 ' O ' ' C ' ' A' ' 11' ' ' ASN . 83.0 m-70 -93.25 20.62 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.669 ' C ' ' O ' ' A' ' 10' ' ' HIS . 64.4 t30 -6.95 83.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.899 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -130.7 162.71 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.42 111.147 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB2' HG11 ' A' ' 50' ' ' VAL . 5.5 m -119.89 127.61 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 52.32 110.892 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 m -130.31 113.55 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.24 111.159 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -135.13 150.82 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -124.49 129.88 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 73.01 110.933 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -106.46 94.48 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.914 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.69 -94.48 1.54 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 64.12 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.74 19.78 4.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 73.05 112.42 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.33 134.97 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 62.35 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -101.71 146.64 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.877 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -129.09 143.43 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.859 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.6 t -106.72 137.83 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 73.04 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -142.52 155.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.11 111.114 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.48 143.32 29.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.934 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.79 122.99 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.35 74.97 2.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 62.13 112.494 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 36.0 p -82.15 124.48 29.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 74.03 110.896 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -101.76 -70.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 73.21 111.125 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.09 -70.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.02 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.02 -1.3 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 73.22 110.854 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 16.6 mmtm -64.97 -3.59 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.65 175.93 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 63.31 110.852 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.32 157.29 18.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.844 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.69 -19.85 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 71.12 110.902 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.1 131.39 50.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.825 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 6' ' ' CYS . 10.0 t70 -65.58 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 70.51 110.859 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -17.44 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.91 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -51.24 159.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.51 155.89 20.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.51 110.867 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -130.16 170.63 13.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.909 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.45 143.78 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 61.44 110.896 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -126.91 127.69 45.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -84.39 94.7 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 64.31 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.83 -11.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.43 -39.14 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 64.35 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -102.03 1.69 36.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 55.61 36.19 26.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.82 151.46 38.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.837 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -108.42 142.91 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 71.32 111.15 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.71 145.22 51.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.847 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' THR . 7.9 m -122.45 -164.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 53.42 110.92 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.84 106.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -125.1 150.9 68.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 72.53 111.175 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.27 23.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 72.33 112.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.51 111.089 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.84 0.352 . . . . 62.25 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' ' C ' ' A' ' 3' ' ' GLY . 5.2 p90 -97.25 -0.87 45.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.944 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -28.6 134.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.763 . . . . 54.24 112.53 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.2 -175.58 14.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 71.42 112.506 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -112.48 154.78 25.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 72.22 110.872 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 19.5 t -119.68 141.24 49.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 52.12 110.845 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -97.89 155.11 17.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.879 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.6 tp -81.44 -54.94 5.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 73.02 110.911 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -88.81 -46.41 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 65.2 110.905 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.663 ' O ' ' C ' ' A' ' 11' ' ' ASN . 12.7 m-70 -90.91 23.21 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.45 110.878 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' C ' ' O ' ' A' ' 10' ' ' HIS . 24.4 p-10 -8.41 86.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -126.91 160.5 30.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.2 111.179 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' HB2' HG23 ' A' ' 24' ' ' VAL . 3.0 m -119.84 121.35 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 55.12 110.888 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.0 m -120.0 110.94 17.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.176 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -126.34 164.16 21.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 74.15 110.959 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -125.06 118.1 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.945 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -98.89 94.81 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 63.03 110.936 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.28 -94.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 74.04 112.443 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.26 28.97 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 50.53 112.529 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.23 140.84 23.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 73.21 110.864 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -92.59 153.87 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.916 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -130.54 168.58 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.906 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.31 128.02 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 75.44 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 13' ' ' CYS . 1.5 m -142.45 149.74 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.04 111.145 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.404 HD22 ' N ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -96.85 149.04 22.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 65.23 110.915 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' N ' HD22 ' A' ' 25' ' ' ASN . 0.7 OUTLIER -99.37 122.55 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.876 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.59 64.4 3.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 52.03 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.529 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 65.7 p -71.16 124.52 24.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 64.52 110.901 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 32' ' ' LYS . . . -102.31 -69.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 43.04 111.117 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.17 -69.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 73.13 111.09 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -0.87 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.892 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 28' ' ' SER . 21.5 mmtp -65.3 -4.11 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 63.43 110.943 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.37 174.58 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.923 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -108.1 156.2 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.841 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -115.38 -20.94 10.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.895 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.03 131.6 52.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 35.43 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 6' ' ' CYS . 8.3 t70 -65.32 -27.89 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 50.31 110.85 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -83.37 -14.88 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 53.13 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.47 157.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.846 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.84 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.835 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 17.5 p -135.7 171.52 14.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 53.25 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -129.42 148.7 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.851 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -140.25 127.06 20.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 75.35 110.891 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.35 106.17 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.42 110.911 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.76 -34.83 78.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.868 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.46 -21.27 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.922 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -4.74 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 50.25 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt 48.87 40.6 16.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.907 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.57 143.87 47.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.45 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -106.64 139.2 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.55 111.134 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -131.68 144.21 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 55.32 110.86 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 54' ' ' THR . 14.9 m -114.21 -166.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.855 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 1.9 pp0? -64.43 109.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.894 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -123.41 151.83 63.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 73.12 111.121 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 132.39 23.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 74.11 112.33 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 61.05 111.116 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 74.54 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 3' ' ' GLY . 4.2 p90 -101.73 -1.3 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 2' ' ' PHE . . . -29.51 135.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 60.42 112.484 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.26 -175.05 14.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 62.51 112.448 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -112.76 153.39 27.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 73.35 110.837 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 25.5 t -120.97 141.04 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 11' ' ' ASN . 41.2 t -98.14 153.83 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.888 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 35' ' ' LYS . 2.5 tp -81.39 -54.74 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 63.22 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.36 -44.66 10.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 72.23 110.918 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.667 ' O ' ' C ' ' A' ' 11' ' ' ASN . 28.3 m-70 -88.91 21.21 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.874 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.667 ' C ' ' O ' ' A' ' 10' ' ' HIS . 62.8 t30 -7.21 84.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.918 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' HIS . 0.8 OUTLIER -129.7 163.62 25.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.187 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' HB2' HG23 ' A' ' 24' ' ' VAL . 3.2 m -119.3 128.13 53.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.909 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.6 m -129.92 112.5 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 52.13 111.176 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -129.52 166.6 19.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 65.21 110.916 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -126.12 123.04 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 73.13 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 94.67 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.929 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -94.43 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 74.13 112.461 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.46 27.44 3.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.694 -0.765 . . . . 71.45 112.448 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 146.05 27.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 72.25 110.874 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.68 153.68 18.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.916 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -130.26 168.24 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 62.22 110.855 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.94 134.35 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 32.34 111.104 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -147.37 149.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 73.04 111.113 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 147.06 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 51.21 110.893 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -102.03 121.35 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.67 77.04 2.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 62.51 112.505 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.592 ' HA ' ' HB3' ' A' ' 32' ' ' LYS . 4.1 t -76.29 127.24 32.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 75.2 110.824 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.09 -67.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 25.42 111.112 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.94 -70.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.095 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.439 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -118.9 5.25 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.885 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.34 -4.58 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HB3' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -79.18 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.929 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.48 157.87 19.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 55.4 110.917 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.703 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -119.12 -16.3 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 64.44 110.898 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.0 126.46 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' CYS . 14.4 p-10 -63.18 -30.47 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.03 110.864 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -81.38 -16.46 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 72.53 110.867 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -52.57 165.93 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 70.15 110.901 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -109.42 157.06 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.822 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -128.11 170.33 13.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.885 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -128.59 141.52 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -134.29 125.32 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.23 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -84.61 97.67 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 64.43 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -68.57 -23.37 64.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.88 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -82.65 -30.52 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.804 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -100.55 -6.82 24.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt 59.24 40.99 20.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.882 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.68 151.8 49.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.882 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.35 136.86 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.173 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.36 146.04 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.42 110.835 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 m -119.36 -166.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.841 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 105.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 64.42 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -128.16 150.63 74.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 72.41 111.108 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' A' ' 31' ' ' ASN . 53.6 Cg_endo -69.77 132.25 22.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.12 112.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.03 111.063 179.954 . . . . . . . . 0 0 . 1 stop_ save_