data_1v90_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 1v90 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 1.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.57 169.81 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.235 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.58 152.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.28 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.386 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.22 -54.45 46.65 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 120.791 0.329 . . . . 1.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.68 0.06 14.45 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.787 1.28 . . . . 1.0 111.823 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.55 118.76 0.57 Allowed Glycine 0 C--N 1.277 -2.734 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.39 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.2 145.61 25.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.428 2.085 . . . . 1.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -171.31 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m 64.49 120.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.726 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 87.9 m -50.12 -177.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.185 0.517 . . . . 1.0 111.986 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -66.92 152.29 45.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.699 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.33 5.02 83.09 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.0 112.075 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p90 -173.43 135.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.581 0.229 . . . . 1.0 110.396 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 44.6 p90 -110.54 149.12 30.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 1.0 111.122 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.8 t -89.3 154.23 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -138.21 78.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.763 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -94.4 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -169.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -70.08 -16.78 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.75 152.06 93.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.66 -28.02 31.54 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.631 2.221 . . . . 1.0 112.227 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -86.79 130.68 34.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 m -144.62 143.3 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -168.51 166.58 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.94 -165.98 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.018 0.437 . . . . 1.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 5.8 tpt85 178.63 92.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 156.59 36.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -82.17 149.11 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.078 0.466 . . . . 1.0 110.635 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.27 -0.872 . . . . 1.0 110.885 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.935 0.398 . . . . 1.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -76.15 178.59 6.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.295 0.569 . . . . 1.0 111.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.93 154.26 30.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -8.94 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.377 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -57.04 -54.4 47.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 120.856 0.36 . . . . 1.0 111.17 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -114.01 0.07 14.22 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.791 1.281 . . . . 1.0 111.853 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.3 131.8 0.53 Allowed Glycine 0 C--N 1.276 -2.789 0 CA-C-N 112.176 -2.283 . . . . 1.0 112.376 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.27 145.8 42.88 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.502 2.135 . . . . 1.0 112.382 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -171.0 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.197 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 63.17 137.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.4 -157.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.631 0.729 . . . . 1.0 111.854 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -87.18 150.27 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.909 -1.041 . . . . 1.0 111.305 -179.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.54 6.85 85.32 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.894 -0.669 . . . . 1.0 111.914 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -172.18 127.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.704 0.288 . . . . 1.0 110.57 -179.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -102.63 154.43 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 1.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.72 154.76 20.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.72 104.91 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.57 -46.99 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.005 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 58.16 -164.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -59.78 -19.69 52.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.268 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.7 tpp -68.37 137.45 91.28 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.761 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.5 -26.7 28.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.468 2.112 . . . . 1.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -95.43 114.64 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 174.07 6.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -170.25 144.31 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.682 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 93.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 153.01 44.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.615 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.59 148.99 31.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 1.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.917 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.969 0.414 . . . . 1.0 111.23 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.9 176.9 9.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.839 -0.618 . . . . 1.0 111.286 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.79 156.57 17.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -6.49 35.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.396 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -57.44 -49.96 74.55 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.774 0.321 . . . . 1.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.14 -0.01 15.72 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.868 1.318 . . . . 1.0 111.808 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.87 112.77 0.21 Allowed Glycine 0 C--N 1.277 -2.706 0 CA-C-N 112.18 -2.282 . . . . 1.0 112.319 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.86 145.59 23.67 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.478 2.118 . . . . 1.0 112.428 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.71 -42.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 62.5 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.828 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -53.55 -157.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.741 0.781 . . . . 1.0 111.801 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 150.72 22.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.969 -1.014 . . . . 1.0 111.471 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 5.19 82.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.942 -0.647 . . . . 1.0 111.977 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -172.5 137.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.704 0.287 . . . . 1.0 110.641 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 147.47 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.63 140.66 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -133.32 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.2 t -103.73 -50.3 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -164.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t -61.85 -18.29 59.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.7 mtt -60.09 147.02 81.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 -26.95 12.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.592 2.194 . . . . 1.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.78 131.82 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.976 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 172.31 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -170.1 147.98 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -161.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.608 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 176.57 96.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.99 153.57 43.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.656 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -79.9 148.98 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.136 0.493 . . . . 1.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.155 -0.926 . . . . 1.0 110.944 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 1.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 m -65.02 164.65 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.285 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.52 160.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -15.6 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.203 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -56.51 -62.37 1.77 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.816 0.341 . . . . 1.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.24 -0.05 14.72 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.772 1.272 . . . . 1.0 111.824 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.32 146.48 0.63 Allowed Glycine 0 C--N 1.276 -2.779 0 CA-C-N 112.166 -2.288 . . . . 1.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.74 147.99 82.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.597 2.198 . . . . 1.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.2 p -171.15 -45.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 m 61.88 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.525 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 7.0 m -54.59 -170.29 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.0 111.242 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.98 148.12 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 1.0 111.156 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.98 -0.78 76.69 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.928 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.4 p90 -169.22 125.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 1.0 110.606 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -102.52 159.92 15.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.005 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -98.26 155.19 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.03 103.34 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -106.09 -30.69 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 59.81 -171.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -61.68 -19.64 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.03 151.05 94.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.73 -27.2 32.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.648 2.232 . . . . 1.0 112.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.76 129.23 37.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.8 m -124.65 149.06 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.04 157.25 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -164.96 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.77 91.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.506 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -68.13 163.04 23.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.879 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -86.73 149.4 24.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 1.0 110.709 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.858 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.331 . . . . 1.0 110.809 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.44 164.57 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.81 150.96 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.039 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -8.93 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.4 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -56.23 -53.78 53.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.818 0.342 . . . . 1.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.87 -0.04 15.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.82 1.295 . . . . 1.0 111.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.74 115.61 0.62 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.168 -2.287 . . . . 1.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.97 145.66 24.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.44 2.093 . . . . 1.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -172.8 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.575 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.01 126.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.249 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -54.87 -169.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.138 0.494 . . . . 1.0 111.615 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.77 151.83 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.264 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.28 0.27 80.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.899 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -171.7 129.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.645 0.26 . . . . 1.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 148.84 23.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 1.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 49.3 t -76.42 125.78 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.283 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -105.45 59.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.313 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -67.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.963 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 59.12 179.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -70.55 -14.78 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.47 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.29 156.14 3.07 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.654 0.264 . . . . 1.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.43 -32.54 25.3 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.615 2.21 . . . . 1.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.52 134.98 37.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.66 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -127.42 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 1.0 111.539 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -174.43 164.88 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -66.43 -162.55 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.628 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -178.32 100.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 1.0 110.784 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 161.68 26.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.757 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.49 149.27 25.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.431 . . . . 1.0 110.681 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.926 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.935 0.398 . . . . 1.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.24 155.76 39.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.958 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.4 165.24 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -11.02 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.367 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -56.65 -56.94 15.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.835 0.35 . . . . 1.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -111.45 -0.09 16.37 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.791 1.281 . . . . 1.0 111.824 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.09 118.11 0.08 OUTLIER Glycine 0 C--N 1.277 -2.744 0 CA-C-N 112.234 -2.257 . . . . 1.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.58 155.81 34.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.534 2.156 . . . . 1.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -170.19 -52.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 1.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 67.47 138.83 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.809 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -55.89 -167.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.006 0.431 . . . . 1.0 111.153 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 152.02 29.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.182 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 0.34 74.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.855 -0.688 . . . . 1.0 112.108 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -171.58 138.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 1.0 110.475 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -117.51 145.43 44.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.5 t -101.01 154.47 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.89 104.48 4.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.702 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -99.99 -57.74 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 59.34 -176.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -19.49 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.182 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.92 152.12 95.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -68.8 -27.26 31.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.683 2.255 . . . . 1.0 112.231 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.23 118.84 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.0 m -144.35 132.26 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -169.08 167.95 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -163.92 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.793 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.4 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.624 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.77 151.51 47.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -78.41 148.89 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 1.0 110.646 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.905 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.889 0.376 . . . . 1.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.51 155.52 41.26 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.071 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.13 174.85 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.79 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.21 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -57.53 -61.83 2.22 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.879 0.371 . . . . 1.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.01 -0.03 15.85 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.84 1.305 . . . . 1.0 111.793 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.14 141.9 0.01 OUTLIER Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.06 145.49 25.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.652 2.235 . . . . 1.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -171.67 -77.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 131.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.155 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.34 0.59 . . . . 1.0 111.744 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -80.38 150.92 29.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.416 -0.811 . . . . 1.0 111.42 -179.36 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.41 8.1 83.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.86 -0.686 . . . . 1.0 111.913 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.84 139.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 1.0 110.911 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.25 150.71 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.44 155.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -136.71 99.22 3.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -102.56 -58.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 61.89 -175.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -65.95 -15.43 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.42 149.95 36.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.52 -29.49 30.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.626 2.217 . . . . 1.0 112.185 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.35 137.17 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -145.05 154.93 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -170.44 156.87 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.12 -166.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.881 0.372 . . . . 1.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.32 145.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.25 163.34 19.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.538 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -85.57 148.04 26.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.103 0.478 . . . . 1.0 110.637 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 1.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.338 . . . . 1.0 110.753 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -63.64 166.21 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.206 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.84 157.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -11.39 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.316 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -56.69 -57.26 13.19 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 120.85 0.357 . . . . 1.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.837 1.303 . . . . 1.0 111.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.67 120.19 0.26 Allowed Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.156 -2.293 . . . . 1.0 112.381 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.92 145.76 39.45 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.403 2.068 . . . . 1.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.66 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.506 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.45 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.241 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.52 -168.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.039 0.447 . . . . 1.0 111.489 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.63 151.42 36.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.261 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.51 1.64 77.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -172.19 133.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.74 0.305 . . . . 1.0 110.514 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.65 144.0 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 54.0 t -78.01 155.26 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.04 0.448 . . . . 1.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -147.95 85.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.665 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.56 -51.19 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.979 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.73 -167.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 -17.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 147.58 78.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -27.71 23.9 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.535 2.156 . . . . 1.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -109.2 135.72 49.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.17 169.86 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 1.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -165.5 146.42 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.581 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -64.99 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.981 0.42 . . . . 1.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.778 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.98 153.58 43.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -79.77 148.91 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 1.0 110.643 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.185 -0.912 . . . . 1.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.14 173.24 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.64 152.64 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -8.7 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.313 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -57.13 -53.8 53.95 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.855 0.36 . . . . 1.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.84 0.06 14.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.843 1.306 . . . . 1.0 111.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.39 161.76 15.25 Favored Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.42 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.51 145.2 91.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.554 2.169 . . . . 1.0 112.397 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.32 -71.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.04 124.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.806 . . . . 1.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 83.9 m -51.34 -177.14 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.593 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.33 153.87 41.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.457 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.28 79.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.924 -0.655 . . . . 1.0 112.182 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.1 p90 -173.39 141.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 1.0 110.449 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 138.46 50.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.217 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 41.3 t -74.34 145.91 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -144.02 82.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -82.7 -48.62 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.077 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 62.85 -172.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.0 p -63.36 -17.28 62.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.42 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.76 150.14 60.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 -28.55 23.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.536 2.157 . . . . 1.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -109.27 135.97 49.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.75 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.81 167.13 9.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.228 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.638 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -73.6 -169.08 0.64 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.14 0.495 . . . . 1.0 111.309 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 111.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.387 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 153.59 43.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -78.67 148.51 33.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 1.0 110.569 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.906 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.745 0.307 . . . . 1.0 110.747 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 m -63.66 166.2 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.74 157.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -11.59 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.308 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -56.78 -57.43 12.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.876 0.369 . . . . 1.0 111.195 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -112.51 -0.04 15.36 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.839 1.304 . . . . 1.0 111.809 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 120.38 0.24 Allowed Glycine 0 C--N 1.277 -2.731 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.421 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.88 145.72 39.28 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.472 2.115 . . . . 1.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -172.42 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.471 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.49 128.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.281 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.56 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.08 0.467 . . . . 1.0 111.465 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.69 151.4 36.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.252 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 1.67 77.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.872 -0.68 . . . . 1.0 112.067 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -172.24 133.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 1.0 110.487 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -106.02 144.38 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.4 t -79.29 155.28 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.232 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -147.6 88.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.645 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.84 -44.65 8.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.994 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 -167.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -17.25 63.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -65.33 149.49 96.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HG2' ' CD2' ' A' ' 30' ' ' TYR . 55.4 Cg_endo -70.01 -27.82 24.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 1.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 29' ' ' PRO . 15.1 m-85 -99.02 144.16 28.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 171.58 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 147.13 4.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.65 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -165.07 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.009 0.433 . . . . 1.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 179.16 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.806 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 153.15 44.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.44 148.9 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 1.0 110.664 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.91 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 1.0 110.785 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.77 166.43 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.23 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.51 157.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.017 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -11.34 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.307 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -56.43 -57.43 12.35 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.87 0.367 . . . . 1.0 111.213 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.843 1.306 . . . . 1.0 111.876 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.59 120.02 0.25 Allowed Glycine 0 C--N 1.277 -2.749 0 CA-C-N 112.181 -2.281 . . . . 1.0 112.372 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.52 145.87 35.84 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.467 2.111 . . . . 1.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -172.17 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.517 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.51 129.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.237 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.76 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.449 . . . . 1.0 111.433 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.14 151.41 35.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.237 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.37 77.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.119 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -172.02 133.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 1.0 110.542 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -106.01 145.09 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 52.8 t -80.25 155.26 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.279 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -146.89 88.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.628 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 -44.67 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.965 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.74 -167.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 t -64.05 -17.37 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.273 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -65.44 149.51 97.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.18 -27.82 23.97 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.568 2.179 . . . . 1.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -98.7 143.37 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 171.92 9.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -168.95 147.25 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.629 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -164.82 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.976 0.417 . . . . 1.0 110.882 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.01 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.741 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.04 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.628 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -80.15 148.93 30.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.085 0.469 . . . . 1.0 110.632 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 pttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.941 0.4 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m -78.24 178.27 7.75 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.314 0.578 . . . . 1.0 111.842 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.52 155.87 29.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -9.33 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.358 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -56.9 -54.89 41.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.794 0.331 . . . . 1.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.92 0.04 14.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.825 1.298 . . . . 1.0 111.866 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.86 129.88 0.39 Allowed Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.207 -2.27 . . . . 1.0 112.342 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.45 146.08 43.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.473 2.116 . . . . 1.0 112.363 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -170.3 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 62.55 137.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.686 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -157.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.615 0.721 . . . . 1.0 111.788 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 150.12 24.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.891 -1.05 . . . . 1.0 111.294 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 6.77 85.13 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.827 -0.702 . . . . 1.0 111.887 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.79 126.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 1.0 110.592 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.8 149.94 24.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 1.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 155.1 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.23 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.94 105.01 3.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.726 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 t -102.71 -42.05 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 60.73 -166.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -63.35 -17.66 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.69 148.13 96.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 -27.25 16.48 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.537 2.158 . . . . 1.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -93.5 131.15 39.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 174.49 6.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -170.36 144.97 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -162.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 96.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.633 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.13 155.52 38.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.523 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.85 149.59 21.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.211 0.529 . . . . 1.0 110.467 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.929 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.747 0.308 . . . . 1.0 110.799 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.22 164.69 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 157.15 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -13.97 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.221 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -56.05 -60.46 3.46 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.863 0.364 . . . . 1.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -113.8 0.05 14.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.81 1.291 . . . . 1.0 111.823 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.77 145.59 1.52 Allowed Glycine 0 C--N 1.276 -2.751 0 CA-C-N 112.111 -2.313 . . . . 1.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.64 148.24 82.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.546 2.164 . . . . 1.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m 63.06 123.05 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.56 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 m -55.64 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 1.0 111.567 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.23 150.07 45.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.49 2.95 81.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.935 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -171.62 132.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.711 0.291 . . . . 1.0 110.388 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -113.97 146.77 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 111.132 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.4 t -84.69 154.0 22.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -141.31 81.7 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.88 -55.02 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 59.94 -176.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -66.49 -17.83 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 156.15 92.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 -27.78 32.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.709 2.272 . . . . 1.0 112.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.79 124.05 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.5 m -144.73 135.98 25.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -169.98 170.92 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.045 0.45 . . . . 1.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.45 91.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.48 151.34 47.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.46 148.99 33.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 1.0 110.702 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.916 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.933 0.397 . . . . 1.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.13 159.0 44.38 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.147 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.94 168.15 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -10.95 36.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.319 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.43 -56.72 18.16 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.777 0.322 . . . . 1.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -111.74 -0.1 16.08 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.802 1.287 . . . . 1.0 111.873 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.56 119.12 0.08 OUTLIER Glycine 0 C--N 1.276 -2.776 0 CA-C-N 112.19 -2.277 . . . . 1.0 112.419 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.54 148.31 73.63 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.472 2.115 . . . . 1.0 112.309 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -170.31 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.069 0.461 . . . . 1.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 66.03 139.89 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.512 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -157.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.609 0.718 . . . . 1.0 111.867 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 150.85 23.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.342 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 3.85 81.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.894 -0.67 . . . . 1.0 112.056 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -172.72 127.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.682 0.277 . . . . 1.0 110.529 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -111.16 146.42 36.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 1.0 111.07 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.2 t -102.4 154.94 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.5 t -138.43 109.44 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.655 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -107.67 -65.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.02 -168.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 p -63.62 -17.6 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 144.17 97.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -27.15 24.89 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.482 2.121 . . . . 1.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -86.27 117.53 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.96 140.77 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -170.12 167.91 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -164.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.712 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 176.39 91.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.609 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.49 148.7 51.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.625 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.61 148.86 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.117 0.484 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.946 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 1.0 110.805 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -64.09 176.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.139 0.495 . . . . 1.0 111.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.68 158.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -12.18 39.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.258 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -57.15 -58.05 9.9 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.818 0.342 . . . . 1.0 111.221 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.86 -0.02 15.03 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.783 1.278 . . . . 1.0 111.807 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.32 123.78 0.19 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.178 -2.283 . . . . 1.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 152.31 28.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.465 2.11 . . . . 1.0 112.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.19 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.231 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 m 62.81 132.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.508 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.72 -169.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.068 0.461 . . . . 1.0 111.28 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 150.22 38.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.111 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 2.1 78.96 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.844 -0.693 . . . . 1.0 112.063 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -171.14 131.53 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.44 151.91 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.984 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.56 155.15 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.176 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -146.62 101.7 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -98.14 -42.98 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 58.81 -168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -17.99 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.28 147.77 90.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 -27.02 23.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.169 . . . . 1.0 112.379 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.86 141.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 174.37 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -170.04 148.0 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -164.13 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 155.4 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.683 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.35 149.11 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 1.0 110.673 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.915 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.915 0.388 . . . . 1.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.78 176.75 7.47 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.643 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.69 152.45 37.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -10.0 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.322 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -56.65 -55.73 30.36 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.837 0.351 . . . . 1.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -114.21 -0.05 14.05 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.816 1.293 . . . . 1.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.35 148.74 4.7 Favored Glycine 0 C--N 1.277 -2.742 0 CA-C-N 112.221 -2.263 . . . . 1.0 112.373 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.6 149.26 73.81 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.566 2.177 . . . . 1.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -170.72 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 62.36 138.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.03 -157.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.64 0.734 . . . . 1.0 111.787 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -87.56 149.95 24.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.905 -1.043 . . . . 1.0 111.325 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.78 6.78 84.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.879 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.7 126.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 1.0 110.64 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -102.24 153.2 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.92 155.28 18.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.0 100.41 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.701 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.89 -40.48 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.75 -167.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -63.45 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.15 145.98 94.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.38 -27.55 33.86 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.554 2.17 . . . . 1.0 112.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.07 135.4 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 176.22 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.26 142.11 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.655 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.09 95.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 152.36 45.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -79.07 148.99 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.131 0.491 . . . . 1.0 110.635 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.235 -0.888 . . . . 1.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 pttm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 1.0 110.722 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.26 176.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.21 0.529 . . . . 1.0 111.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.61 159.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -12.06 38.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -57.17 -58.0 10.14 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.836 0.35 . . . . 1.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.6 -0.03 15.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.837 1.303 . . . . 1.0 111.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 121.38 0.15 Allowed Glycine 0 C--N 1.276 -2.753 0 CA-C-N 112.174 -2.285 . . . . 1.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.2 149.85 27.03 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.454 2.103 . . . . 1.0 112.246 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -170.11 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m 62.76 130.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.471 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.06 -168.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.028 0.442 . . . . 1.0 111.302 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 149.72 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.198 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.55 2.35 79.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.891 -0.671 . . . . 1.0 111.952 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -171.32 133.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 1.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -108.03 153.01 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.964 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.88 155.64 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 1.0 111.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.1 99.5 3.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.679 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.6 t -97.31 -40.8 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.63 -167.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -62.79 -17.94 61.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -69.86 143.27 91.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.6 -27.71 38.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.479 2.119 . . . . 1.0 112.225 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -93.49 130.51 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 173.6 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -170.03 146.09 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -164.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 90.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.25 153.57 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.682 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -80.11 149.1 30.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.129 0.49 . . . . 1.0 110.588 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.902 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.945 0.402 . . . . 1.0 111.054 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.6 162.31 27.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.215 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.25 147.55 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.34 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.382 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -56.35 -54.49 44.84 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.814 0.34 . . . . 1.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.81 0.03 14.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.857 1.313 . . . . 1.0 111.811 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.59 147.4 4.26 Favored Glycine 0 C--N 1.277 -2.739 0 CA-C-N 112.171 -2.286 . . . . 1.0 112.358 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.62 146.75 85.15 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.454 2.102 . . . . 1.0 112.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -171.68 -54.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.91 136.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.517 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -158.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.472 0.653 . . . . 1.0 111.844 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -84.4 150.34 25.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.071 -0.968 . . . . 1.0 111.288 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.64 85.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.692 . . . . 1.0 111.903 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.415 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.73 124.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.444 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.62 147.52 30.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 1.0 111.061 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.72 154.01 19.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -136.41 86.79 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.78 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.85 -59.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 59.58 -176.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.5 p -62.61 -18.89 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -70.74 153.9 94.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.71 -27.44 31.89 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.65 2.233 . . . . 1.0 112.23 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.97 122.2 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.74 137.41 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -170.11 168.73 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.802 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -164.03 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.715 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.73 94.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 150.54 48.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.559 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -77.82 148.92 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.069 0.461 . . . . 1.0 110.65 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.896 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 1.0 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.6 m -76.97 177.4 7.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.689 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.94 151.87 35.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.078 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -9.59 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.39 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -56.66 -55.43 34.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.793 0.33 . . . . 1.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -114.5 0.07 13.89 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.826 1.298 . . . . 1.0 111.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.29 148.49 5.36 Favored Glycine 0 C--N 1.276 -2.762 0 CA-C-N 112.192 -2.276 . . . . 1.0 112.408 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.91 149.03 71.79 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.585 2.19 . . . . 1.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -171.26 -47.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.8 m 62.29 140.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.814 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -54.87 -157.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.672 0.749 . . . . 1.0 111.796 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -88.75 149.82 23.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.301 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.89 6.63 84.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.857 -0.687 . . . . 1.0 111.852 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 1.1 p90 -171.88 124.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 1.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -99.45 155.74 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 1.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.55 155.21 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -144.33 101.1 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.739 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -98.72 -43.05 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 58.83 -168.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -63.0 -17.87 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.28 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 mtt -61.01 149.51 81.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 -27.0 21.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.624 2.216 . . . . 1.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -105.53 146.08 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 176.86 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ptt85 -170.06 142.94 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.27 98.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.31 159.12 29.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.0 149.86 21.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 1.0 110.462 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.274 -0.87 . . . . 1.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 pttt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.768 0.318 . . . . 1.0 110.767 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 m -64.95 165.13 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.221 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.29 160.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -12.66 37.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.274 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -57.08 -58.57 7.62 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.81 0.338 . . . . 1.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.49 -0.09 15.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.799 1.285 . . . . 1.0 111.771 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.47 121.76 0.1 OUTLIER Glycine 0 C--N 1.276 -2.781 0 CA-C-N 112.224 -2.262 . . . . 1.0 112.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.55 146.2 34.77 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.434 2.089 . . . . 1.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.315 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m 63.0 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.48 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.69 -169.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.012 0.434 . . . . 1.0 111.404 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.77 148.82 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.123 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.45 1.89 80.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.889 -0.672 . . . . 1.0 111.916 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -171.13 135.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 1.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -117.17 154.97 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.085 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 t -99.74 155.7 17.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.09 0.471 . . . . 1.0 111.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -134.24 90.5 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -103.51 -67.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.974 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.54 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -63.84 -17.39 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.6 mtm -65.53 148.14 98.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 -27.47 15.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.561 2.174 . . . . 1.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -90.37 123.86 34.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.21 147.09 41.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -170.2 169.01 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -165.88 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 177.91 89.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.4 149.81 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.46 148.9 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.075 0.464 . . . . 1.0 110.616 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.215 -0.897 . . . . 1.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.494 -0.242 . . . . 1.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 2.8 p -68.86 -167.95 0.12 Allowed 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 120.564 0.221 . . . . 1.0 111.03 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.26 72.03 0.8 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.0 111.249 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 -146.12 1.43 Allowed Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.875 -0.602 . . . . 1.0 113.148 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 8.7 mt-10 -122.22 -49.16 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 1.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.14 -0.87 54.49 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-O 125.321 2.623 . . . . 1.0 113.96 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.3 108.98 6.48 Favored 'General case' 1 C--N 1.22 -5.038 1 CA-C-N 106.946 -4.627 . . . . 1.0 110.922 -179.968 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -60.06 143.37 52.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.57 169.81 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.235 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.58 152.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.28 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.386 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.22 -54.45 46.65 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 120.791 0.329 . . . . 1.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.68 0.06 14.45 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.787 1.28 . . . . 1.0 111.823 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.55 118.76 0.57 Allowed Glycine 0 C--N 1.277 -2.734 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.39 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.2 145.61 25.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.428 2.085 . . . . 1.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -171.31 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m 64.49 120.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.726 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 87.9 m -50.12 -177.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.185 0.517 . . . . 1.0 111.986 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -66.92 152.29 45.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.699 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.33 5.02 83.09 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.0 112.075 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p90 -173.43 135.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.581 0.229 . . . . 1.0 110.396 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 44.6 p90 -110.54 149.12 30.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 1.0 111.122 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.8 t -89.3 154.23 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -138.21 78.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.763 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -94.4 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -169.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -70.08 -16.78 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.75 152.06 93.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.66 -28.02 31.54 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.631 2.221 . . . . 1.0 112.227 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -86.79 130.68 34.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 m -144.62 143.3 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -168.51 166.58 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.94 -165.98 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.018 0.437 . . . . 1.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 5.8 tpt85 178.63 92.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 156.59 36.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -82.17 149.11 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.078 0.466 . . . . 1.0 110.635 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -95.51 -179.71 4.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.27 -0.872 . . . . 1.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.52 0.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.491 -0.244 . . . . 1.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.95 -171.37 1.63 Allowed 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 120.575 0.226 . . . . 1.0 110.702 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.25 67.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.416 0.627 . . . . 1.0 110.838 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.88 -173.61 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.125 -0.943 . . . . 1.0 113.691 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.7 mt-10 -133.42 -48.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 1.0 110.601 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.16 -0.46 44.49 Favored Glycine 0 CA--C 1.472 -2.607 0 CA-C-O 125.288 2.604 . . . . 1.0 113.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 167.02 13.63 Favored 'General case' 1 C--N 1.22 -5.032 1 CA-C-N 106.994 -4.603 . . . . 1.0 110.788 -179.901 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.57 142.57 33.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -76.15 178.59 6.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.295 0.569 . . . . 1.0 111.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.93 154.26 30.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -8.94 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.377 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -57.04 -54.4 47.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 120.856 0.36 . . . . 1.0 111.17 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -114.01 0.07 14.22 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.791 1.281 . . . . 1.0 111.853 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.3 131.8 0.53 Allowed Glycine 0 C--N 1.276 -2.789 0 CA-C-N 112.176 -2.283 . . . . 1.0 112.376 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.27 145.8 42.88 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.502 2.135 . . . . 1.0 112.382 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -171.0 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.197 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 63.17 137.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.4 -157.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.631 0.729 . . . . 1.0 111.854 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -87.18 150.27 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.909 -1.041 . . . . 1.0 111.305 -179.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.54 6.85 85.32 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.894 -0.669 . . . . 1.0 111.914 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -172.18 127.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.704 0.288 . . . . 1.0 110.57 -179.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -102.63 154.43 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 1.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.72 154.76 20.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.72 104.91 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.57 -46.99 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.005 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 58.16 -164.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -59.78 -19.69 52.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.268 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.7 tpp -68.37 137.45 91.28 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.761 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.5 -26.7 28.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.468 2.112 . . . . 1.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -95.43 114.64 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 174.07 6.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -170.25 144.31 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.682 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 93.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 153.01 44.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.615 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.59 148.99 31.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 1.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t -77.34 143.23 38.91 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.824 0 O-C-N 123.523 0.514 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.52 -0.232 . . . . 1.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.96 -167.9 0.81 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.432 0.158 . . . . 1.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER -128.68 68.31 1.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.309 0.576 . . . . 1.0 111.228 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.3 142.89 0.77 Allowed Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.422 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -99.75 32.89 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.128 0.489 . . . . 1.0 110.811 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.73 -2.91 3.44 Favored Glycine 0 CA--C 1.473 -2.557 0 CA-C-O 125.255 2.586 . . . . 1.0 114.072 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.19 -163.4 0.14 Allowed 'General case' 1 C--N 1.22 -5.064 1 CA-C-N 107.063 -4.568 . . . . 1.0 110.789 179.838 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -177.75 4.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.23 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.9 176.9 9.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.839 -0.618 . . . . 1.0 111.286 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.79 156.57 17.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -6.49 35.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.396 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -57.44 -49.96 74.55 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.774 0.321 . . . . 1.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.14 -0.01 15.72 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.868 1.318 . . . . 1.0 111.808 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.87 112.77 0.21 Allowed Glycine 0 C--N 1.277 -2.706 0 CA-C-N 112.18 -2.282 . . . . 1.0 112.319 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.86 145.59 23.67 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.478 2.118 . . . . 1.0 112.428 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.71 -42.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 62.5 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.828 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -53.55 -157.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.741 0.781 . . . . 1.0 111.801 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 150.72 22.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.969 -1.014 . . . . 1.0 111.471 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 5.19 82.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.942 -0.647 . . . . 1.0 111.977 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 5' ' ' GLU . 1.2 p90 -172.5 137.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.704 0.287 . . . . 1.0 110.641 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 147.47 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.63 140.66 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -133.32 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.2 t -103.73 -50.3 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -164.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t -61.85 -18.29 59.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.7 mtt -60.09 147.02 81.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 -26.95 12.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.592 2.194 . . . . 1.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.78 131.82 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.976 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 172.31 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -170.1 147.98 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -161.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.608 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 176.57 96.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.99 153.57 43.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.656 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -79.9 148.98 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.136 0.493 . . . . 1.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 p -80.48 -162.44 0.46 Allowed 'General case' 0 C--O 1.249 1.069 0 CA-C-O 118.155 -0.926 . . . . 1.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.801 0 O-C-N 123.529 0.518 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.0 -172.3 1.31 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.564 0.221 . . . . 1.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -120.01 67.7 0.83 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.195 0.521 . . . . 1.0 110.554 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 -31.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.679 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.08 -81.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 1.0 111.104 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.02 -0.51 48.28 Favored Glycine 0 CA--C 1.472 -2.647 0 CA-C-O 125.318 2.621 . . . . 1.0 114.049 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.64 80.76 1.92 Allowed 'General case' 1 C--N 1.219 -5.075 1 CA-C-N 107.013 -4.593 . . . . 1.0 110.977 -179.924 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 154.16 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.742 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 m -65.02 164.65 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.285 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.52 160.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -15.6 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.203 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -56.51 -62.37 1.77 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.816 0.341 . . . . 1.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.24 -0.05 14.72 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.772 1.272 . . . . 1.0 111.824 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.32 146.48 0.63 Allowed Glycine 0 C--N 1.276 -2.779 0 CA-C-N 112.166 -2.288 . . . . 1.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.74 147.99 82.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.597 2.198 . . . . 1.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.2 p -171.15 -45.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 m 61.88 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.525 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 7.0 m -54.59 -170.29 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.0 111.242 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.98 148.12 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 1.0 111.156 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.98 -0.78 76.69 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.928 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.4 p90 -169.22 125.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 1.0 110.606 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -102.52 159.92 15.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.005 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -98.26 155.19 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.03 103.34 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -106.09 -30.69 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 59.81 -171.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -61.68 -19.64 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.03 151.05 94.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.73 -27.2 32.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.648 2.232 . . . . 1.0 112.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.76 129.23 37.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.8 m -124.65 149.06 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.04 157.25 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -164.96 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.77 91.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.506 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -68.13 163.04 23.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.879 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -86.73 149.4 24.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 1.0 110.709 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -90.33 -75.55 0.46 Allowed 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.762 0 O-C-N 123.526 0.516 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.497 -0.241 . . . . 1.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.81 -173.62 0.64 Allowed 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 122.322 0.249 . . . . 1.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.65 70.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 1.0 110.628 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.99 42.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 1.0 112.78 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -121.1 -70.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.717 0.294 . . . . 1.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.17 -0.87 47.93 Favored Glycine 0 CA--C 1.472 -2.645 0 CA-C-O 125.311 2.617 . . . . 1.0 114.033 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.24 153.18 32.18 Favored 'General case' 1 C--N 1.22 -5.063 1 CA-C-N 107.021 -4.59 . . . . 1.0 110.941 -179.903 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -81.51 176.26 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.809 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.44 164.57 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.81 150.96 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.039 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -8.93 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.4 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -56.23 -53.78 53.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.818 0.342 . . . . 1.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.87 -0.04 15.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.82 1.295 . . . . 1.0 111.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.74 115.61 0.62 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.168 -2.287 . . . . 1.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.97 145.66 24.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.44 2.093 . . . . 1.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -172.8 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.575 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.01 126.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.249 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -54.87 -169.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.138 0.494 . . . . 1.0 111.615 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.77 151.83 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.264 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.28 0.27 80.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.899 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -171.7 129.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.645 0.26 . . . . 1.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 148.84 23.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 1.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 49.3 t -76.42 125.78 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.283 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -105.45 59.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.313 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -67.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.963 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 59.12 179.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -70.55 -14.78 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.47 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.29 156.14 3.07 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.654 0.264 . . . . 1.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.43 -32.54 25.3 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.615 2.21 . . . . 1.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.52 134.98 37.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.66 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -127.42 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 1.0 111.539 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -174.43 164.88 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -66.43 -162.55 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.628 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -178.32 100.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 1.0 110.784 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 161.68 26.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.757 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.49 149.27 25.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.431 . . . . 1.0 110.681 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -88.46 -45.53 9.87 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.786 0 O-C-N 123.527 0.517 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.498 -0.241 . . . . 1.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p -66.58 -159.71 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.936 0.398 . . . . 1.0 111.419 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp -132.52 71.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.39 -148.69 2.3 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.049 -0.596 . . . . 1.0 112.892 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 5.5 mt-10 -123.33 -55.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.58 -0.46 49.71 Favored Glycine 0 CA--C 1.473 -2.563 0 CA-C-O 125.303 2.613 . . . . 1.0 113.944 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.33 166.88 1.52 Allowed 'General case' 1 C--N 1.221 -4.998 1 CA-C-N 106.976 -4.612 . . . . 1.0 111.016 -179.936 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -94.53 -178.67 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.24 155.76 39.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.958 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.4 165.24 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -11.02 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.367 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -56.65 -56.94 15.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.835 0.35 . . . . 1.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -111.45 -0.09 16.37 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.791 1.281 . . . . 1.0 111.824 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.09 118.11 0.08 OUTLIER Glycine 0 C--N 1.277 -2.744 0 CA-C-N 112.234 -2.257 . . . . 1.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.58 155.81 34.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.534 2.156 . . . . 1.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -170.19 -52.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 1.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 67.47 138.83 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.809 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -55.89 -167.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.006 0.431 . . . . 1.0 111.153 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 152.02 29.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.182 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 0.34 74.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.855 -0.688 . . . . 1.0 112.108 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 5' ' ' GLU . 1.6 p90 -171.58 138.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 1.0 110.475 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -117.51 145.43 44.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.5 t -101.01 154.47 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.89 104.48 4.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.702 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -99.99 -57.74 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 59.34 -176.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -19.49 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.182 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.92 152.12 95.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -68.8 -27.26 31.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.683 2.255 . . . . 1.0 112.231 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.23 118.84 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.0 m -144.35 132.26 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -169.08 167.95 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -163.92 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.793 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.4 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.624 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.77 151.51 47.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.65 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -78.41 148.89 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 1.0 110.646 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p -70.81 -179.28 2.15 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.769 0 O-C-N 123.551 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.424 -0.27 . . . . 1.0 112.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.08 -172.59 3.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.679 0.276 . . . . 1.0 110.77 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tp -127.78 67.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.201 0.524 . . . . 1.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.27 -158.36 0.02 OUTLIER Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.227 -0.897 . . . . 1.0 113.551 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 6.1 mt-10 -124.03 -58.92 1.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 1.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.4 -0.42 50.3 Favored Glycine 0 CA--C 1.472 -2.602 0 CA-C-O 125.287 2.604 . . . . 1.0 113.907 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -163.48 0.0 OUTLIER 'General case' 1 C--N 1.22 -5.023 1 CA-C-N 106.986 -4.607 . . . . 1.0 110.99 -179.988 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -119.85 -178.73 3.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.51 155.52 41.26 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.071 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.13 174.85 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.79 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.21 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -57.53 -61.83 2.22 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.879 0.371 . . . . 1.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.01 -0.03 15.85 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.84 1.305 . . . . 1.0 111.793 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.14 141.9 0.01 OUTLIER Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.06 145.49 25.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.652 2.235 . . . . 1.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -171.67 -77.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 131.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.155 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.34 0.59 . . . . 1.0 111.744 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -80.38 150.92 29.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.416 -0.811 . . . . 1.0 111.42 -179.36 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.41 8.1 83.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.86 -0.686 . . . . 1.0 111.913 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.84 139.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 1.0 110.911 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.25 150.71 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.44 155.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -136.71 99.22 3.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -102.56 -58.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 61.89 -175.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -65.95 -15.43 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.42 149.95 36.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.52 -29.49 30.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.626 2.217 . . . . 1.0 112.185 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.35 137.17 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -145.05 154.93 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -170.44 156.87 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.12 -166.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.881 0.372 . . . . 1.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.32 145.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.25 163.34 19.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.538 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -85.57 148.04 26.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.103 0.478 . . . . 1.0 110.637 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.02 179.35 3.81 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 1.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.793 0 O-C-N 123.578 0.549 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.3 m -69.95 -173.46 0.65 Allowed 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 120.645 0.259 . . . . 1.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.09 70.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 1.0 110.744 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 39.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 1.0 113.044 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -127.41 -69.19 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.76 0.314 . . . . 1.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.75 -1.13 49.34 Favored Glycine 0 CA--C 1.472 -2.651 0 CA-C-O 125.323 2.624 . . . . 1.0 113.926 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.95 140.9 19.25 Favored 'General case' 1 C--N 1.22 -5.038 1 CA-C-N 106.972 -4.614 . . . . 1.0 110.957 -179.899 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 171.91 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.753 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -63.64 166.21 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.206 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.84 157.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -11.39 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.316 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -56.69 -57.26 13.19 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 120.85 0.357 . . . . 1.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.837 1.303 . . . . 1.0 111.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.67 120.19 0.26 Allowed Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.156 -2.293 . . . . 1.0 112.381 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.92 145.76 39.45 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.403 2.068 . . . . 1.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.66 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.506 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.45 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.241 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.52 -168.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.039 0.447 . . . . 1.0 111.489 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.63 151.42 36.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.261 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.51 1.64 77.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -172.19 133.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.74 0.305 . . . . 1.0 110.514 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.65 144.0 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 54.0 t -78.01 155.26 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.04 0.448 . . . . 1.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -147.95 85.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.665 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.56 -51.19 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.979 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.73 -167.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 -17.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 147.58 78.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -27.71 23.9 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.535 2.156 . . . . 1.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -109.2 135.72 49.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.17 169.86 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 1.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -165.5 146.42 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.581 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -64.99 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.981 0.42 . . . . 1.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.778 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.98 153.58 43.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -79.77 148.91 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 1.0 110.643 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.4 -80.62 0.55 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.185 -0.912 . . . . 1.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.583 0.552 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.521 -0.232 . . . . 1.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -77.15 -167.5 0.9 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.615 0.245 . . . . 1.0 110.75 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -107.5 70.85 0.8 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.007 0.432 . . . . 1.0 111.135 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.32 -148.45 0.75 Allowed Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.744 -0.662 . . . . 1.0 113.232 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 1.2 mt-10 -125.26 -55.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 1.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.28 -0.92 54.04 Favored Glycine 0 CA--C 1.472 -2.605 0 CA-C-O 125.363 2.646 . . . . 1.0 113.963 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.42 123.34 22.88 Favored 'General case' 1 C--N 1.221 -5.019 1 CA-C-N 106.98 -4.61 . . . . 1.0 110.868 -179.936 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 143.27 55.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.14 173.24 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.64 152.64 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -8.7 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.313 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -57.13 -53.8 53.95 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.855 0.36 . . . . 1.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.84 0.06 14.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.843 1.306 . . . . 1.0 111.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.39 161.76 15.25 Favored Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.42 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.51 145.2 91.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.554 2.169 . . . . 1.0 112.397 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.32 -71.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.04 124.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.806 . . . . 1.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 83.9 m -51.34 -177.14 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.593 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.33 153.87 41.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.457 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.28 79.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.924 -0.655 . . . . 1.0 112.182 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.1 p90 -173.39 141.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 1.0 110.449 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 138.46 50.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.217 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 41.3 t -74.34 145.91 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -144.02 82.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -82.7 -48.62 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.077 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 62.85 -172.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.0 p -63.36 -17.28 62.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.42 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.76 150.14 60.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 -28.55 23.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.536 2.157 . . . . 1.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -109.27 135.97 49.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.75 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.81 167.13 9.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.228 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.638 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -73.6 -169.08 0.64 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.14 0.495 . . . . 1.0 111.309 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 111.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.387 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 153.59 43.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -78.67 148.51 33.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 1.0 110.569 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -101.98 22.58 12.82 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.773 0 O-C-N 123.55 0.531 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.481 -0.247 . . . . 1.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m -69.99 -173.48 0.66 Allowed 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 120.648 0.261 . . . . 1.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.69 70.89 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 1.0 110.669 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.24 38.44 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.641 -0.79 . . . . 1.0 113.041 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.85 -68.94 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.711 0.291 . . . . 1.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.61 -1.22 49.82 Favored Glycine 0 CA--C 1.471 -2.675 0 CA-C-O 125.353 2.64 . . . . 1.0 114.003 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.91 140.06 18.43 Favored 'General case' 1 C--N 1.22 -5.025 1 CA-C-N 106.978 -4.611 . . . . 1.0 110.961 -179.86 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 171.63 14.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.747 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 m -63.66 166.2 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.74 157.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -11.59 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.308 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -56.78 -57.43 12.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.876 0.369 . . . . 1.0 111.195 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -112.51 -0.04 15.36 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.839 1.304 . . . . 1.0 111.809 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 120.38 0.24 Allowed Glycine 0 C--N 1.277 -2.731 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.421 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.88 145.72 39.28 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.472 2.115 . . . . 1.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -172.42 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.471 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.49 128.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.281 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.56 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.08 0.467 . . . . 1.0 111.465 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.69 151.4 36.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.252 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 1.67 77.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.872 -0.68 . . . . 1.0 112.067 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -172.24 133.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 1.0 110.487 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -106.02 144.38 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.4 t -79.29 155.28 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.232 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -147.6 88.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.645 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.84 -44.65 8.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.994 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 -167.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -17.25 63.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -65.33 149.49 96.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HG2' ' CD2' ' A' ' 30' ' ' TYR . 55.4 Cg_endo -70.01 -27.82 24.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 1.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 29' ' ' PRO . 15.1 m-85 -99.02 144.16 28.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 171.58 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 147.13 4.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.65 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -165.07 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.009 0.433 . . . . 1.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 179.16 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.806 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 153.15 44.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.44 148.9 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 1.0 110.664 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 m -106.43 128.45 54.06 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.513 0.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.534 -0.226 . . . . 1.0 112.534 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.5 m -69.94 -173.67 0.67 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 120.643 0.258 . . . . 1.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.6 70.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 1.0 110.659 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.15 38.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.665 -0.779 . . . . 1.0 112.971 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -128.5 -68.36 0.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.772 0.32 . . . . 1.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.37 -1.07 50.57 Favored Glycine 0 CA--C 1.472 -2.631 0 CA-C-O 125.306 2.614 . . . . 1.0 113.934 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.52 149.55 27.8 Favored 'General case' 1 C--N 1.22 -5.03 1 CA-C-N 106.998 -4.601 . . . . 1.0 110.955 -179.835 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 170.91 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.77 166.43 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.23 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.51 157.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.017 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -11.34 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.307 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -56.43 -57.43 12.35 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.87 0.367 . . . . 1.0 111.213 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.843 1.306 . . . . 1.0 111.876 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.59 120.02 0.25 Allowed Glycine 0 C--N 1.277 -2.749 0 CA-C-N 112.181 -2.281 . . . . 1.0 112.372 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.52 145.87 35.84 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.467 2.111 . . . . 1.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -172.17 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.517 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.51 129.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.237 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.76 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.449 . . . . 1.0 111.433 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.14 151.41 35.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.237 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.37 77.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.119 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -172.02 133.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 1.0 110.542 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -106.01 145.09 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 52.8 t -80.25 155.26 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.279 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -146.89 88.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.628 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 -44.67 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.965 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.74 -167.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 t -64.05 -17.37 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.273 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -65.44 149.51 97.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.18 -27.82 23.97 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.568 2.179 . . . . 1.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -98.7 143.37 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 171.92 9.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -168.95 147.25 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.629 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -164.82 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.976 0.417 . . . . 1.0 110.882 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.01 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.741 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.04 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.628 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -80.15 148.93 30.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.085 0.469 . . . . 1.0 110.632 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.42 -78.16 0.58 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.799 0 O-C-N 123.531 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.455 -0.258 . . . . 1.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.5 m -76.37 -173.18 2.38 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.666 0.27 . . . . 1.0 110.722 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.39 66.71 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 1.0 110.741 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.95 -167.88 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.126 -0.943 . . . . 1.0 113.586 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.2 mt-10 -134.79 -47.02 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 1.0 110.647 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.5 -0.59 46.74 Favored Glycine 0 CA--C 1.473 -2.58 0 CA-C-O 125.285 2.603 . . . . 1.0 113.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 164.12 16.96 Favored 'General case' 1 C--N 1.22 -5.027 1 CA-C-N 107.028 -4.586 . . . . 1.0 110.892 179.984 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -102.42 142.56 33.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m -78.24 178.27 7.75 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.314 0.578 . . . . 1.0 111.842 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.52 155.87 29.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -9.33 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.358 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -56.9 -54.89 41.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.794 0.331 . . . . 1.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.92 0.04 14.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.825 1.298 . . . . 1.0 111.866 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.86 129.88 0.39 Allowed Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.207 -2.27 . . . . 1.0 112.342 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.45 146.08 43.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.473 2.116 . . . . 1.0 112.363 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -170.3 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 62.55 137.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.686 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -157.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.615 0.721 . . . . 1.0 111.788 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 150.12 24.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.891 -1.05 . . . . 1.0 111.294 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 6.77 85.13 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.827 -0.702 . . . . 1.0 111.887 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.79 126.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 1.0 110.592 -179.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.8 149.94 24.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 1.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 155.1 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.23 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.94 105.01 3.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.726 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 t -102.71 -42.05 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 60.73 -166.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -63.35 -17.66 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.69 148.13 96.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 -27.25 16.48 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.537 2.158 . . . . 1.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -93.5 131.15 39.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 174.49 6.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -170.36 144.97 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -162.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 96.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.633 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.13 155.52 38.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.523 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.85 149.59 21.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.211 0.529 . . . . 1.0 110.467 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -175.55 2.23 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.558 0.536 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.507 -0.237 . . . . 1.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.0 m -70.19 -173.23 0.66 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 122.299 0.24 . . . . 1.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.11 71.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.0 110.649 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.38 40.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.658 -0.782 . . . . 1.0 112.867 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.68 -68.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 1.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.56 -1.07 49.95 Favored Glycine 0 CA--C 1.472 -2.636 0 CA-C-O 125.328 2.627 . . . . 1.0 113.983 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -153.5 138.84 17.56 Favored 'General case' 1 C--N 1.22 -5.047 1 CA-C-N 107.006 -4.597 . . . . 1.0 110.965 -179.827 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 177.43 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.799 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.22 164.69 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 157.15 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -13.97 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.221 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -56.05 -60.46 3.46 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.863 0.364 . . . . 1.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -113.8 0.05 14.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.81 1.291 . . . . 1.0 111.823 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.77 145.59 1.52 Allowed Glycine 0 C--N 1.276 -2.751 0 CA-C-N 112.111 -2.313 . . . . 1.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.64 148.24 82.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.546 2.164 . . . . 1.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m 63.06 123.05 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.56 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 m -55.64 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 1.0 111.567 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.23 150.07 45.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.49 2.95 81.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.935 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -171.62 132.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.711 0.291 . . . . 1.0 110.388 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -113.97 146.77 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 111.132 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.4 t -84.69 154.0 22.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -141.31 81.7 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.88 -55.02 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 59.94 -176.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -66.49 -17.83 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 156.15 92.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 -27.78 32.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.709 2.272 . . . . 1.0 112.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.79 124.05 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.5 m -144.73 135.98 25.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -169.98 170.92 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.045 0.45 . . . . 1.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.45 91.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.48 151.34 47.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.46 148.99 33.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 1.0 110.702 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -106.54 159.73 15.95 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.792 0 O-C-N 123.564 0.54 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.469 -0.252 . . . . 1.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 m -76.93 -175.28 3.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.706 0.288 . . . . 1.0 110.759 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.1 65.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.384 0.612 . . . . 1.0 110.545 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.0 -165.51 0.01 OUTLIER Glycine 0 CA--C 1.517 0.196 0 CA-C-N 114.962 -1.017 . . . . 1.0 113.644 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 mt-10 -124.23 -46.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.91 0.27 36.01 Favored Glycine 0 CA--C 1.473 -2.583 0 CA-C-O 125.311 2.617 . . . . 1.0 113.764 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.54 163.84 22.63 Favored 'General case' 1 C--N 1.22 -5.036 1 CA-C-N 106.941 -4.63 . . . . 1.0 111.123 -179.745 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -90.9 -177.63 5.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.13 159.0 44.38 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.147 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.94 168.15 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -10.95 36.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.319 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.43 -56.72 18.16 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.777 0.322 . . . . 1.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -111.74 -0.1 16.08 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.802 1.287 . . . . 1.0 111.873 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.56 119.12 0.08 OUTLIER Glycine 0 C--N 1.276 -2.776 0 CA-C-N 112.19 -2.277 . . . . 1.0 112.419 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.54 148.31 73.63 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.472 2.115 . . . . 1.0 112.309 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -170.31 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.069 0.461 . . . . 1.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 66.03 139.89 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.512 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -157.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.609 0.718 . . . . 1.0 111.867 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 150.85 23.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.342 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 3.85 81.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.894 -0.67 . . . . 1.0 112.056 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 2.4 p90 -172.72 127.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.682 0.277 . . . . 1.0 110.529 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -111.16 146.42 36.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 1.0 111.07 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.2 t -102.4 154.94 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.5 t -138.43 109.44 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.655 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -107.67 -65.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.02 -168.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 p -63.62 -17.6 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 144.17 97.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -27.15 24.89 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.482 2.121 . . . . 1.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -86.27 117.53 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.96 140.77 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -170.12 167.91 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -164.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.712 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 176.39 91.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.609 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.49 148.7 51.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.625 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.61 148.86 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.117 0.484 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m -87.9 136.4 32.98 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.798 0 O-C-N 123.572 0.545 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.496 -0.242 . . . . 1.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.98 -172.96 0.59 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 120.614 0.245 . . . . 1.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.22 70.06 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 1.0 110.729 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.42 36.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 1.0 112.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -128.23 -67.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.756 0.312 . . . . 1.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.19 -0.97 51.12 Favored Glycine 0 CA--C 1.472 -2.621 0 CA-C-O 125.303 2.613 . . . . 1.0 113.976 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -150.97 163.8 37.89 Favored 'General case' 1 C--N 1.22 -5.041 1 CA-C-N 107.016 -4.592 . . . . 1.0 110.997 -179.895 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 162.76 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.805 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -64.09 176.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.139 0.495 . . . . 1.0 111.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.68 158.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -12.18 39.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.258 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -57.15 -58.05 9.9 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.818 0.342 . . . . 1.0 111.221 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.86 -0.02 15.03 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.783 1.278 . . . . 1.0 111.807 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.32 123.78 0.19 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.178 -2.283 . . . . 1.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 152.31 28.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.465 2.11 . . . . 1.0 112.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.19 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.231 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 m 62.81 132.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.508 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.72 -169.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.068 0.461 . . . . 1.0 111.28 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 150.22 38.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.111 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 2.1 78.96 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.844 -0.693 . . . . 1.0 112.063 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -171.14 131.53 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.44 151.91 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.984 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.56 155.15 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.176 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -146.62 101.7 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -98.14 -42.98 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 58.81 -168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -17.99 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.28 147.77 90.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 -27.02 23.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.169 . . . . 1.0 112.379 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.86 141.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 174.37 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -170.04 148.0 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -164.13 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 155.4 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.683 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.35 149.11 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 1.0 110.673 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -105.17 178.44 4.56 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.819 0 O-C-N 123.56 0.537 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.492 -0.243 . . . . 1.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.01 -170.29 1.34 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.591 0.234 . . . . 1.0 110.66 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.68 67.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.442 0.639 . . . . 1.0 110.907 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.74 -176.18 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.112 -0.949 . . . . 1.0 113.746 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.0 mt-10 -132.69 -48.54 0.89 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 1.0 110.603 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.49 -0.59 46.76 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-O 125.287 2.604 . . . . 1.0 113.936 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.48 165.59 13.72 Favored 'General case' 1 C--N 1.221 -5.018 1 CA-C-N 106.96 -4.62 . . . . 1.0 110.852 -179.982 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.39 142.65 33.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.78 176.75 7.47 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.643 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.69 152.45 37.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -10.0 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.322 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -56.65 -55.73 30.36 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.837 0.351 . . . . 1.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -114.21 -0.05 14.05 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.816 1.293 . . . . 1.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.35 148.74 4.7 Favored Glycine 0 C--N 1.277 -2.742 0 CA-C-N 112.221 -2.263 . . . . 1.0 112.373 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.6 149.26 73.81 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.566 2.177 . . . . 1.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -170.72 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 62.36 138.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.03 -157.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.64 0.734 . . . . 1.0 111.787 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -87.56 149.95 24.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.905 -1.043 . . . . 1.0 111.325 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.78 6.78 84.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.879 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.7 126.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 1.0 110.64 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -102.24 153.2 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.92 155.28 18.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.0 100.41 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.701 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.89 -40.48 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.75 -167.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -63.45 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.15 145.98 94.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.38 -27.55 33.86 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.554 2.17 . . . . 1.0 112.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.07 135.4 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 176.22 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.26 142.11 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.655 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.09 95.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 152.36 45.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -79.07 148.99 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.131 0.491 . . . . 1.0 110.635 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -7.23 50.72 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.235 -0.888 . . . . 1.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.796 0 O-C-N 123.504 0.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.1 m -70.23 -172.98 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.628 0.251 . . . . 1.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.43 70.83 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 1.0 110.67 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.9 38.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.566 -0.826 . . . . 1.0 113.037 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -127.45 -67.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 1.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.32 -1.0 50.72 Favored Glycine 0 CA--C 1.472 -2.615 0 CA-C-O 125.283 2.602 . . . . 1.0 114.054 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.35 154.35 34.36 Favored 'General case' 1 C--N 1.22 -5.048 1 CA-C-N 107.01 -4.595 . . . . 1.0 111.03 -179.837 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -94.61 164.34 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.722 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.26 176.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.21 0.529 . . . . 1.0 111.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.61 159.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -12.06 38.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -57.17 -58.0 10.14 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.836 0.35 . . . . 1.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.6 -0.03 15.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.837 1.303 . . . . 1.0 111.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 121.38 0.15 Allowed Glycine 0 C--N 1.276 -2.753 0 CA-C-N 112.174 -2.285 . . . . 1.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.2 149.85 27.03 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.454 2.103 . . . . 1.0 112.246 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -170.11 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m 62.76 130.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.471 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.06 -168.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.028 0.442 . . . . 1.0 111.302 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 149.72 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.198 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.55 2.35 79.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.891 -0.671 . . . . 1.0 111.952 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -171.32 133.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 1.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -108.03 153.01 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.964 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.88 155.64 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 1.0 111.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.1 99.5 3.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.679 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.6 t -97.31 -40.8 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.63 -167.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -62.79 -17.94 61.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -69.86 143.27 91.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.6 -27.71 38.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.479 2.119 . . . . 1.0 112.225 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -93.49 130.51 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 173.6 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -170.03 146.09 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -164.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 90.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.25 153.57 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.682 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -80.11 149.1 30.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.129 0.49 . . . . 1.0 110.588 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -75.66 -48.33 22.54 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 CA-C-N 118.289 0.495 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.458 -0.257 . . . . 1.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.28 -174.81 3.88 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.777 0.322 . . . . 1.0 110.706 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tp -121.61 65.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.379 0.609 . . . . 1.0 110.697 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.45 -160.9 0.01 OUTLIER Glycine 0 CA--C 1.517 0.214 0 CA-C-N 114.908 -1.042 . . . . 1.0 113.847 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 1.9 mt-10 -131.2 -53.8 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.347 . . . . 1.0 110.729 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.47 -0.98 53.44 Favored Glycine 0 CA--C 1.472 -2.636 0 CA-C-O 125.377 2.654 . . . . 1.0 113.976 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -170.54 0.4 Allowed 'General case' 1 C--N 1.221 -5.012 1 CA-C-N 107.029 -4.586 . . . . 1.0 110.76 179.915 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 142.55 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.054 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.6 162.31 27.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.215 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.25 147.55 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.34 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.382 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -56.35 -54.49 44.84 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.814 0.34 . . . . 1.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.81 0.03 14.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.857 1.313 . . . . 1.0 111.811 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.59 147.4 4.26 Favored Glycine 0 C--N 1.277 -2.739 0 CA-C-N 112.171 -2.286 . . . . 1.0 112.358 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.62 146.75 85.15 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.454 2.102 . . . . 1.0 112.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -171.68 -54.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.91 136.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.517 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -158.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.472 0.653 . . . . 1.0 111.844 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -84.4 150.34 25.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.071 -0.968 . . . . 1.0 111.288 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.64 85.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.692 . . . . 1.0 111.903 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.73 124.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.444 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.62 147.52 30.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 1.0 111.061 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.72 154.01 19.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -136.41 86.79 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.78 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.85 -59.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 59.58 -176.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.5 p -62.61 -18.89 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -70.74 153.9 94.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.71 -27.44 31.89 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.65 2.233 . . . . 1.0 112.23 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.97 122.2 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.74 137.41 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -170.11 168.73 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.802 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -164.03 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.715 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.73 94.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 150.54 48.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.559 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -77.82 148.92 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.069 0.461 . . . . 1.0 110.65 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -83.91 -61.48 1.81 Allowed 'General case' 0 C--O 1.249 1.034 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.537 0.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.541 -0.224 . . . . 1.0 112.541 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 m -76.37 -169.92 1.33 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.557 0.218 . . . . 1.0 110.69 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.5 66.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.436 0.636 . . . . 1.0 110.895 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.1 -177.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.065 -0.97 . . . . 1.0 113.802 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.2 mt-10 -133.35 -50.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 1.0 110.588 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.52 -0.58 46.65 Favored Glycine 0 CA--C 1.472 -2.61 0 CA-C-O 125.3 2.611 . . . . 1.0 113.948 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.82 -172.3 3.93 Favored 'General case' 1 C--N 1.22 -5.046 1 CA-C-N 106.987 -4.607 . . . . 1.0 110.816 -179.977 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.31 142.55 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.6 m -76.97 177.4 7.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.689 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.94 151.87 35.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.078 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -9.59 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.39 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -56.66 -55.43 34.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.793 0.33 . . . . 1.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -114.5 0.07 13.89 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.826 1.298 . . . . 1.0 111.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.29 148.49 5.36 Favored Glycine 0 C--N 1.276 -2.762 0 CA-C-N 112.192 -2.276 . . . . 1.0 112.408 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.91 149.03 71.79 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.585 2.19 . . . . 1.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -171.26 -47.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.8 m 62.29 140.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.814 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -54.87 -157.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.672 0.749 . . . . 1.0 111.796 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -88.75 149.82 23.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.301 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.89 6.63 84.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.857 -0.687 . . . . 1.0 111.852 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 1.1 p90 -171.88 124.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 1.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -99.45 155.74 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 1.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.55 155.21 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -144.33 101.1 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.739 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -98.72 -43.05 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 58.83 -168.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -63.0 -17.87 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.28 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 mtt -61.01 149.51 81.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 -27.0 21.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.624 2.216 . . . . 1.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -105.53 146.08 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 176.86 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ptt85 -170.06 142.94 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.27 98.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.31 159.12 29.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.0 149.86 21.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 1.0 110.462 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.8 178.47 7.31 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.274 -0.87 . . . . 1.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.759 0 O-C-N 123.521 0.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.527 -0.229 . . . . 1.0 112.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m -71.47 -173.18 0.87 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.631 0.253 . . . . 1.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.87 69.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 1.0 110.642 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 36.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 1.0 112.997 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.03 -68.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 1.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.42 -1.0 50.37 Favored Glycine 0 CA--C 1.472 -2.629 0 CA-C-O 125.363 2.646 . . . . 1.0 114.061 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -151.74 136.75 17.32 Favored 'General case' 1 C--N 1.22 -5.023 1 CA-C-N 106.972 -4.614 . . . . 1.0 110.976 -179.933 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -82.64 164.99 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 m -64.95 165.13 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.221 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.29 160.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -12.66 37.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.274 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -57.08 -58.57 7.62 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.81 0.338 . . . . 1.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.49 -0.09 15.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.799 1.285 . . . . 1.0 111.771 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.47 121.76 0.1 OUTLIER Glycine 0 C--N 1.276 -2.781 0 CA-C-N 112.224 -2.262 . . . . 1.0 112.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.55 146.2 34.77 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.434 2.089 . . . . 1.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.315 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m 63.0 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.48 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.69 -169.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.012 0.434 . . . . 1.0 111.404 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.77 148.82 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.123 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.45 1.89 80.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.889 -0.672 . . . . 1.0 111.916 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -171.13 135.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 1.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -117.17 154.97 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.085 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 t -99.74 155.7 17.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.09 0.471 . . . . 1.0 111.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -134.24 90.5 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -103.51 -67.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.974 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.54 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -63.84 -17.39 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.6 mtm -65.53 148.14 98.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 -27.47 15.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.561 2.174 . . . . 1.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -90.37 123.86 34.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.21 147.09 41.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -170.2 169.01 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -165.88 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 177.91 89.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.4 149.81 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.46 148.9 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.075 0.464 . . . . 1.0 110.616 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -75.26 154.13 37.64 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 118.215 -0.897 . . . . 1.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.803 0 O-C-N 123.551 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 1.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.57 169.81 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.235 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.58 152.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.28 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.386 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.22 -54.45 46.65 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 120.791 0.329 . . . . 1.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.68 0.06 14.45 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.787 1.28 . . . . 1.0 111.823 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.55 118.76 0.57 Allowed Glycine 0 C--N 1.277 -2.734 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.39 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.2 145.61 25.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.428 2.085 . . . . 1.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -171.31 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m 64.49 120.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.726 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 87.9 m -50.12 -177.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.185 0.517 . . . . 1.0 111.986 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -66.92 152.29 45.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.699 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.33 5.02 83.09 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.0 112.075 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p90 -173.43 135.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.581 0.229 . . . . 1.0 110.396 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 44.6 p90 -110.54 149.12 30.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 1.0 111.122 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 37.8 t -89.3 154.23 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -138.21 78.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.763 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -94.4 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -169.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -70.08 -16.78 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.75 152.06 93.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.66 -28.02 31.54 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.631 2.221 . . . . 1.0 112.227 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -86.79 130.68 34.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 m -144.62 143.3 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -168.51 166.58 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -66.94 -165.98 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.018 0.437 . . . . 1.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 5.8 tpt85 178.63 92.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 5.4 p30 -67.62 156.59 36.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -82.17 149.11 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.078 0.466 . . . . 1.0 110.635 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.27 -0.872 . . . . 1.0 110.885 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.935 0.398 . . . . 1.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -76.15 178.59 6.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.295 0.569 . . . . 1.0 111.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.93 154.26 30.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -8.94 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.377 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -57.04 -54.4 47.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 120.856 0.36 . . . . 1.0 111.17 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -114.01 0.07 14.22 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.791 1.281 . . . . 1.0 111.853 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.3 131.8 0.53 Allowed Glycine 0 C--N 1.276 -2.789 0 CA-C-N 112.176 -2.283 . . . . 1.0 112.376 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' CG ' ' HB2' ' A' ' 25' ' ' CYS . 51.0 Cg_exo -53.27 145.8 42.88 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.502 2.135 . . . . 1.0 112.382 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -171.0 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.197 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 63.17 137.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.4 -157.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.631 0.729 . . . . 1.0 111.854 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -87.18 150.27 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.909 -1.041 . . . . 1.0 111.305 -179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.54 6.85 85.32 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.894 -0.669 . . . . 1.0 111.914 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -172.18 127.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.704 0.288 . . . . 1.0 110.57 -179.749 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -102.63 154.43 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 1.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.72 154.76 20.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.72 104.91 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . 9.0 t -103.57 -46.99 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 58.16 -164.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -59.78 -19.69 52.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.268 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.7 tpp -68.37 137.45 91.28 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.761 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.5 -26.7 28.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.468 2.112 . . . . 1.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -95.43 114.64 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 174.07 6.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -170.25 144.31 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.682 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 93.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 153.01 44.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.615 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.59 148.99 31.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 1.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.917 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.969 0.414 . . . . 1.0 111.23 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.9 176.9 9.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.839 -0.618 . . . . 1.0 111.286 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.79 156.57 17.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -6.49 35.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.396 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -57.44 -49.96 74.55 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.774 0.321 . . . . 1.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.14 -0.01 15.72 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.868 1.318 . . . . 1.0 111.808 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.87 112.77 0.21 Allowed Glycine 0 C--N 1.277 -2.706 0 CA-C-N 112.18 -2.282 . . . . 1.0 112.319 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.86 145.59 23.67 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.478 2.118 . . . . 1.0 112.428 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.71 -42.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 62.5 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.828 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -53.55 -157.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.741 0.781 . . . . 1.0 111.801 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 150.72 22.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.969 -1.014 . . . . 1.0 111.471 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 5.19 82.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.942 -0.647 . . . . 1.0 111.977 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.419 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.2 p90 -172.5 137.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.704 0.287 . . . . 1.0 110.641 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 147.47 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -102.63 140.66 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -133.32 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.2 t -103.73 -50.3 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -164.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t -61.85 -18.29 59.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.7 mtt -60.09 147.02 81.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 -26.95 12.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.592 2.194 . . . . 1.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.78 131.82 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.976 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 172.31 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -170.1 147.98 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -59.69 -161.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.608 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 176.57 96.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.99 153.57 43.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.656 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -79.9 148.98 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.136 0.493 . . . . 1.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.155 -0.926 . . . . 1.0 110.944 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 1.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . 4.7 m -65.02 164.65 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.285 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.52 160.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -15.6 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.203 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -56.51 -62.37 1.77 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.816 0.341 . . . . 1.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.24 -0.05 14.72 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.772 1.272 . . . . 1.0 111.824 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.32 146.48 0.63 Allowed Glycine 0 C--N 1.276 -2.779 0 CA-C-N 112.166 -2.288 . . . . 1.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.74 147.99 82.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.597 2.198 . . . . 1.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.2 p -171.15 -45.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 m 61.88 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.525 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 7.0 m -54.59 -170.29 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.0 111.242 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.98 148.12 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 1.0 111.156 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.98 -0.78 76.69 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.928 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.4 p90 -169.22 125.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 1.0 110.606 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -102.52 159.92 15.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.005 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 48.7 t -98.26 155.19 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.03 103.34 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -106.09 -30.69 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 59.81 -171.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -61.68 -19.64 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.03 151.05 94.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.73 -27.2 32.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.648 2.232 . . . . 1.0 112.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.76 129.23 37.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 3.8 m -124.65 149.06 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.04 157.25 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.09 -164.96 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.77 91.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.506 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 4.9 p30 -68.13 163.04 23.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -86.73 149.4 24.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 1.0 110.709 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.858 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.331 . . . . 1.0 110.809 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.44 164.57 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.81 150.96 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.039 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -8.93 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.4 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -56.23 -53.78 53.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.818 0.342 . . . . 1.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.87 -0.04 15.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.82 1.295 . . . . 1.0 111.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.74 115.61 0.62 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.168 -2.287 . . . . 1.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.97 145.66 24.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.44 2.093 . . . . 1.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -172.8 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.575 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.01 126.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.249 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -54.87 -169.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.138 0.494 . . . . 1.0 111.615 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.77 151.83 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.264 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.28 0.27 80.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.899 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 3.1 p90 -171.7 129.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.645 0.26 . . . . 1.0 110.36 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 148.84 23.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 1.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 49.3 t -76.42 125.78 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.283 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -105.45 59.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.313 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -67.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.963 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 59.12 179.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -70.55 -14.78 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.47 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.29 156.14 3.07 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.654 0.264 . . . . 1.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.43 -32.54 25.3 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.615 2.21 . . . . 1.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.52 134.98 37.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.66 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -127.42 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 1.0 111.539 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -174.43 164.88 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -66.43 -162.55 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.628 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -178.32 100.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 1.0 110.784 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 4.9 p30 -68.13 161.68 26.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.757 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.49 149.27 25.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.431 . . . . 1.0 110.681 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.926 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.935 0.398 . . . . 1.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.24 155.76 39.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.958 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.4 165.24 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -11.02 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.367 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -56.65 -56.94 15.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.835 0.35 . . . . 1.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -111.45 -0.09 16.37 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.791 1.281 . . . . 1.0 111.824 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.09 118.11 0.08 OUTLIER Glycine 0 C--N 1.277 -2.744 0 CA-C-N 112.234 -2.257 . . . . 1.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.58 155.81 34.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.534 2.156 . . . . 1.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -170.19 -52.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 1.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 67.47 138.83 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.809 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -55.89 -167.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.006 0.431 . . . . 1.0 111.153 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 152.02 29.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.182 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 0.34 74.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.855 -0.688 . . . . 1.0 112.108 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.6 p90 -171.58 138.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 1.0 110.475 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -117.51 145.43 44.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.5 t -101.01 154.47 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.89 104.48 4.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.702 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -99.99 -57.74 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 59.34 -176.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -19.49 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.182 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -70.92 152.12 95.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 14.7 Cg_exo -68.8 -27.26 31.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.683 2.255 . . . . 1.0 112.231 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.23 118.84 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.0 m -144.35 132.26 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -169.08 167.95 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -163.92 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.793 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.4 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.624 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.77 151.51 47.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.65 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -78.41 148.89 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 1.0 110.646 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.905 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.889 0.376 . . . . 1.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.51 155.52 41.26 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.071 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.13 174.85 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.79 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.21 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -57.53 -61.83 2.22 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.879 0.371 . . . . 1.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.01 -0.03 15.85 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.84 1.305 . . . . 1.0 111.793 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.14 141.9 0.01 OUTLIER Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.06 145.49 25.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.652 2.235 . . . . 1.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -171.67 -77.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 131.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.155 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.34 0.59 . . . . 1.0 111.744 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -80.38 150.92 29.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.416 -0.811 . . . . 1.0 111.42 -179.36 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.41 8.1 83.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.86 -0.686 . . . . 1.0 111.913 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -171.84 139.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 1.0 110.911 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.25 150.71 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.44 155.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -136.71 99.22 3.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -102.56 -58.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 61.89 -175.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -65.95 -15.43 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -56.42 149.95 36.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.95 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 15.0 Cg_exo -68.52 -29.49 30.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.626 2.217 . . . . 1.0 112.185 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.35 137.17 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -145.05 154.93 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -170.44 156.87 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.12 -166.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.881 0.372 . . . . 1.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.32 145.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 3.0 p30 -122.25 163.34 19.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.538 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -85.57 148.04 26.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.103 0.478 . . . . 1.0 110.637 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 1.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.338 . . . . 1.0 110.753 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -63.64 166.21 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.206 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.84 157.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -11.39 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.316 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -56.69 -57.26 13.19 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 120.85 0.357 . . . . 1.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.837 1.303 . . . . 1.0 111.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.67 120.19 0.26 Allowed Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.156 -2.293 . . . . 1.0 112.381 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.92 145.76 39.45 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.403 2.068 . . . . 1.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.66 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.506 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.45 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.241 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.52 -168.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.039 0.447 . . . . 1.0 111.489 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.63 151.42 36.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.261 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.51 1.64 77.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.19 133.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.74 0.305 . . . . 1.0 110.514 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.65 144.0 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 54.0 t -78.01 155.26 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.04 0.448 . . . . 1.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -147.95 85.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.665 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.56 -51.19 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.979 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.73 -167.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 -17.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 147.58 78.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -27.71 23.9 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.535 2.156 . . . . 1.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -109.2 135.72 49.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.17 169.86 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 1.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -165.5 146.42 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.581 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -64.99 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.981 0.42 . . . . 1.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.778 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.98 153.58 43.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.666 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -79.77 148.91 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 1.0 110.643 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.185 -0.912 . . . . 1.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.14 173.24 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.64 152.64 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -8.7 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.313 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -57.13 -53.8 53.95 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.855 0.36 . . . . 1.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.84 0.06 14.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.843 1.306 . . . . 1.0 111.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.39 161.76 15.25 Favored Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.42 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.51 145.2 91.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.554 2.169 . . . . 1.0 112.397 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.32 -71.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.04 124.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.806 . . . . 1.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 83.9 m -51.34 -177.14 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.593 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.33 153.87 41.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.457 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.28 79.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.924 -0.655 . . . . 1.0 112.182 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 18' ' ' CYS . 3.1 p90 -173.39 141.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 1.0 110.449 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 138.46 50.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.217 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 41.3 t -74.34 145.91 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -144.02 82.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -82.7 -48.62 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.077 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 62.85 -172.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.0 p -63.36 -17.28 62.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.42 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.76 150.14 60.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 -28.55 23.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.536 2.157 . . . . 1.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -109.27 135.97 49.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.75 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.81 167.13 9.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.228 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.638 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -73.6 -169.08 0.64 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.14 0.495 . . . . 1.0 111.309 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 111.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.387 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 153.59 43.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -78.67 148.51 33.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 1.0 110.569 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.906 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.745 0.307 . . . . 1.0 110.747 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 m -63.66 166.2 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.74 157.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -11.59 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.308 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -56.78 -57.43 12.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.876 0.369 . . . . 1.0 111.195 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -112.51 -0.04 15.36 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.839 1.304 . . . . 1.0 111.809 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 120.38 0.24 Allowed Glycine 0 C--N 1.277 -2.731 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.421 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.88 145.72 39.28 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.472 2.115 . . . . 1.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -172.42 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.471 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.49 128.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.281 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.56 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.08 0.467 . . . . 1.0 111.465 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.69 151.4 36.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.252 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 1.67 77.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.872 -0.68 . . . . 1.0 112.067 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.24 133.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 1.0 110.487 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -106.02 144.38 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.4 t -79.29 155.28 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.232 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -147.6 88.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.645 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.84 -44.65 8.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.994 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 -167.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -17.25 63.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -65.33 149.49 96.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 30' ' ' TYR . 55.4 Cg_endo -70.01 -27.82 24.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 1.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' ' HG2' ' A' ' 29' ' ' PRO . 15.1 m-85 -99.02 144.16 28.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 171.58 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 147.13 4.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.65 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -165.07 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.009 0.433 . . . . 1.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 179.16 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.806 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.97 153.15 44.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.646 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.44 148.9 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 1.0 110.664 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.91 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 1.0 110.785 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.77 166.43 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.23 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.51 157.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.017 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -11.34 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.307 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -56.43 -57.43 12.35 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.87 0.367 . . . . 1.0 111.213 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.843 1.306 . . . . 1.0 111.876 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.59 120.02 0.25 Allowed Glycine 0 C--N 1.277 -2.749 0 CA-C-N 112.181 -2.281 . . . . 1.0 112.372 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.52 145.87 35.84 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.467 2.111 . . . . 1.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -172.17 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.517 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.51 129.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.237 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.76 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.449 . . . . 1.0 111.433 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.14 151.41 35.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.237 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.37 77.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.119 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.02 133.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 1.0 110.542 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -106.01 145.09 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 52.8 t -80.25 155.26 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.279 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -146.89 88.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.628 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 -44.67 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.965 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.74 -167.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 t -64.05 -17.37 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.273 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -65.44 149.51 97.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.18 -27.82 23.97 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.568 2.179 . . . . 1.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -98.7 143.37 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 171.92 9.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -168.95 147.25 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.629 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -164.82 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.976 0.417 . . . . 1.0 110.882 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.01 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.741 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -68.04 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.628 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -80.15 148.93 30.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.085 0.469 . . . . 1.0 110.632 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 pttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.941 0.4 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m -78.24 178.27 7.75 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.314 0.578 . . . . 1.0 111.842 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.52 155.87 29.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -9.33 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.358 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -56.9 -54.89 41.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.794 0.331 . . . . 1.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.92 0.04 14.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.825 1.298 . . . . 1.0 111.866 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.86 129.88 0.39 Allowed Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.207 -2.27 . . . . 1.0 112.342 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.45 146.08 43.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.473 2.116 . . . . 1.0 112.363 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -170.3 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 62.55 137.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.686 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -157.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.615 0.721 . . . . 1.0 111.788 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 150.12 24.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.891 -1.05 . . . . 1.0 111.294 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 6.77 85.13 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.827 -0.702 . . . . 1.0 111.887 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.79 126.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 1.0 110.592 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.8 149.94 24.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 1.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 155.1 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.23 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.94 105.01 3.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.726 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 t -102.71 -42.05 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 60.73 -166.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -63.35 -17.66 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.69 148.13 96.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 -27.25 16.48 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.537 2.158 . . . . 1.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -93.5 131.15 39.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 174.49 6.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -170.36 144.97 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -162.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 96.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.633 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.13 155.52 38.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.523 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.85 149.59 21.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.211 0.529 . . . . 1.0 110.467 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.929 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.747 0.308 . . . . 1.0 110.799 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.22 164.69 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 157.15 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -13.97 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.221 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -56.05 -60.46 3.46 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.863 0.364 . . . . 1.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -113.8 0.05 14.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.81 1.291 . . . . 1.0 111.823 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.77 145.59 1.52 Allowed Glycine 0 C--N 1.276 -2.751 0 CA-C-N 112.111 -2.313 . . . . 1.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.64 148.24 82.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.546 2.164 . . . . 1.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m 63.06 123.05 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.56 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.7 m -55.64 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 1.0 111.567 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.23 150.07 45.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.49 2.95 81.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.935 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.6 p90 -171.62 132.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.711 0.291 . . . . 1.0 110.388 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -113.97 146.77 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 111.132 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 45.4 t -84.69 154.0 22.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.03 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -141.31 81.7 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.88 -55.02 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 59.94 -176.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -66.49 -17.83 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 156.15 92.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 -27.78 32.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.709 2.272 . . . . 1.0 112.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.79 124.05 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.5 m -144.73 135.98 25.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -169.98 170.92 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -67.18 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.045 0.45 . . . . 1.0 110.939 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.45 91.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.48 151.34 47.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.46 148.99 33.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 1.0 110.702 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.916 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.933 0.397 . . . . 1.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.13 159.0 44.38 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.147 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.94 168.15 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -10.95 36.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.319 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.43 -56.72 18.16 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.777 0.322 . . . . 1.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -111.74 -0.1 16.08 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.802 1.287 . . . . 1.0 111.873 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.56 119.12 0.08 OUTLIER Glycine 0 C--N 1.276 -2.776 0 CA-C-N 112.19 -2.277 . . . . 1.0 112.419 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.54 148.31 73.63 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.472 2.115 . . . . 1.0 112.309 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -170.31 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.069 0.461 . . . . 1.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 66.03 139.89 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.512 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -157.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.609 0.718 . . . . 1.0 111.867 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 150.85 23.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.342 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 3.85 81.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.894 -0.67 . . . . 1.0 112.056 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -172.72 127.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.682 0.277 . . . . 1.0 110.529 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -111.16 146.42 36.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 1.0 111.07 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.2 t -102.4 154.94 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.5 t -138.43 109.44 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.655 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -107.67 -65.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.02 -168.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 p -63.62 -17.6 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 144.17 97.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -27.15 24.89 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.482 2.121 . . . . 1.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -86.27 117.53 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.96 140.77 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -170.12 167.91 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -164.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.712 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 176.39 91.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.609 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.49 148.7 51.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.625 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.61 148.86 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.117 0.484 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.946 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 1.0 110.805 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -64.09 176.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.139 0.495 . . . . 1.0 111.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.68 158.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -12.18 39.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.258 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -57.15 -58.05 9.9 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.818 0.342 . . . . 1.0 111.221 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.86 -0.02 15.03 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.783 1.278 . . . . 1.0 111.807 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.32 123.78 0.19 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.178 -2.283 . . . . 1.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 152.31 28.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.465 2.11 . . . . 1.0 112.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.19 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.231 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 m 62.81 132.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.508 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.72 -169.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.068 0.461 . . . . 1.0 111.28 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 150.22 38.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.111 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 2.1 78.96 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.844 -0.693 . . . . 1.0 112.063 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -171.14 131.53 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.44 151.91 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.984 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.56 155.15 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.176 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -146.62 101.7 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -98.14 -42.98 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 58.81 -168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -17.99 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.28 147.77 90.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 -27.02 23.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.169 . . . . 1.0 112.379 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.86 141.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 174.37 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -170.04 148.0 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -164.13 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -67.5 155.4 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.35 149.11 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 1.0 110.673 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.915 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.915 0.388 . . . . 1.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.78 176.75 7.47 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.643 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.69 152.45 37.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -10.0 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.322 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -56.65 -55.73 30.36 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.837 0.351 . . . . 1.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -114.21 -0.05 14.05 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.816 1.293 . . . . 1.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.35 148.74 4.7 Favored Glycine 0 C--N 1.277 -2.742 0 CA-C-N 112.221 -2.263 . . . . 1.0 112.373 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.6 149.26 73.81 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.566 2.177 . . . . 1.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -170.72 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 62.36 138.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.03 -157.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.64 0.734 . . . . 1.0 111.787 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -87.56 149.95 24.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.905 -1.043 . . . . 1.0 111.325 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.78 6.78 84.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.879 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.7 126.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 1.0 110.64 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -102.24 153.2 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.92 155.28 18.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.0 100.41 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.701 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.89 -40.48 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.75 -167.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -63.45 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.15 145.98 94.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.38 -27.55 33.86 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.554 2.17 . . . . 1.0 112.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.07 135.4 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 176.22 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.26 142.11 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.655 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.09 95.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 152.36 45.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -79.07 148.99 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.131 0.491 . . . . 1.0 110.635 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.235 -0.888 . . . . 1.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 pttm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 1.0 110.722 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 79.5 m -64.26 176.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.21 0.529 . . . . 1.0 111.515 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.61 159.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -12.06 38.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -57.17 -58.0 10.14 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.836 0.35 . . . . 1.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.6 -0.03 15.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.837 1.303 . . . . 1.0 111.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 121.38 0.15 Allowed Glycine 0 C--N 1.276 -2.753 0 CA-C-N 112.174 -2.285 . . . . 1.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.2 149.85 27.03 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.454 2.103 . . . . 1.0 112.246 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -170.11 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m 62.76 130.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.471 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.06 -168.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.028 0.442 . . . . 1.0 111.302 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 149.72 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.198 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.55 2.35 79.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.891 -0.671 . . . . 1.0 111.952 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -171.32 133.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 1.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -108.03 153.01 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.964 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.88 155.64 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 1.0 111.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.1 99.5 3.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.679 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.6 t -97.31 -40.8 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.63 -167.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -62.79 -17.94 61.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -69.86 143.27 91.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.6 -27.71 38.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.479 2.119 . . . . 1.0 112.225 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -93.49 130.51 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -117.29 173.6 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -170.03 146.09 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.31 -164.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.865 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 90.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.25 153.57 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.682 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -80.11 149.1 30.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.129 0.49 . . . . 1.0 110.588 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.902 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.945 0.402 . . . . 1.0 111.054 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.6 162.31 27.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.215 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.25 147.55 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.34 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.382 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -56.35 -54.49 44.84 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.814 0.34 . . . . 1.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.81 0.03 14.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.857 1.313 . . . . 1.0 111.811 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.59 147.4 4.26 Favored Glycine 0 C--N 1.277 -2.739 0 CA-C-N 112.171 -2.286 . . . . 1.0 112.358 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.62 146.75 85.15 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.454 2.102 . . . . 1.0 112.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -171.68 -54.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.91 136.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.517 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -158.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.472 0.653 . . . . 1.0 111.844 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -84.4 150.34 25.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.071 -0.968 . . . . 1.0 111.288 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.64 85.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.692 . . . . 1.0 111.903 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.415 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.73 124.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.444 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.62 147.52 30.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 1.0 111.061 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.72 154.01 19.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -136.41 86.79 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.78 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.85 -59.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 59.58 -176.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.5 p -62.61 -18.89 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -70.74 153.9 94.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.71 -27.44 31.89 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.65 2.233 . . . . 1.0 112.23 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.97 122.2 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.74 137.41 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -170.11 168.73 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.802 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -164.03 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.715 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.73 94.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 150.54 48.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.559 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -77.82 148.92 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.069 0.461 . . . . 1.0 110.65 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.896 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 1.0 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.6 m -76.97 177.4 7.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.689 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.94 151.87 35.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.078 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -9.59 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.39 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -56.66 -55.43 34.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.793 0.33 . . . . 1.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -114.5 0.07 13.89 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.826 1.298 . . . . 1.0 111.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.29 148.49 5.36 Favored Glycine 0 C--N 1.276 -2.762 0 CA-C-N 112.192 -2.276 . . . . 1.0 112.408 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.91 149.03 71.79 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.585 2.19 . . . . 1.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -171.26 -47.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.8 m 62.29 140.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.814 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -54.87 -157.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.672 0.749 . . . . 1.0 111.796 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -88.75 149.82 23.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.301 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.89 6.63 84.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.857 -0.687 . . . . 1.0 111.852 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 1.1 p90 -171.88 124.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 1.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -99.45 155.74 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 1.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.55 155.21 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -144.33 101.1 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.739 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -98.72 -43.05 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 58.83 -168.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -63.0 -17.87 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.28 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 mtt -61.01 149.51 81.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 -27.0 21.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.624 2.216 . . . . 1.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -105.53 146.08 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 176.86 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ptt85 -170.06 142.94 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.27 98.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -67.31 159.12 29.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.0 149.86 21.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 1.0 110.462 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.274 -0.87 . . . . 1.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 pttt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.768 0.318 . . . . 1.0 110.767 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 m -64.95 165.13 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.221 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.29 160.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -12.66 37.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.274 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -57.08 -58.57 7.62 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.81 0.338 . . . . 1.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.49 -0.09 15.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.799 1.285 . . . . 1.0 111.771 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.47 121.76 0.1 OUTLIER Glycine 0 C--N 1.276 -2.781 0 CA-C-N 112.224 -2.262 . . . . 1.0 112.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.55 146.2 34.77 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.434 2.089 . . . . 1.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.315 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m 63.0 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.48 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 3.1 m -55.69 -169.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.012 0.434 . . . . 1.0 111.404 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.77 148.82 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.123 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.45 1.89 80.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.889 -0.672 . . . . 1.0 111.916 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.4 p90 -171.13 135.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 1.0 110.433 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -117.17 154.97 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.085 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 t -99.74 155.7 17.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.09 0.471 . . . . 1.0 111.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -134.24 90.5 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -103.51 -67.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.974 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.54 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -63.84 -17.39 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.6 mtm -65.53 148.14 98.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 -27.47 15.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.561 2.174 . . . . 1.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -90.37 123.86 34.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.21 147.09 41.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -170.2 169.01 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -165.88 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 177.91 89.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.4 149.81 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.46 148.9 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.075 0.464 . . . . 1.0 110.616 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.215 -0.897 . . . . 1.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.494 -0.242 . . . . 1.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 2.8 p -68.86 -167.95 0.12 Allowed 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 120.564 0.221 . . . . 1.0 111.03 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -116.26 72.03 0.8 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.0 111.249 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 -146.12 1.43 Allowed Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.875 -0.602 . . . . 1.0 113.148 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 8.7 mt-10 -122.22 -49.16 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 1.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.14 -0.87 54.49 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-O 125.321 2.623 . . . . 1.0 113.96 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.3 108.98 6.48 Favored 'General case' 1 C--N 1.22 -5.038 1 CA-C-N 106.946 -4.627 . . . . 1.0 110.922 -179.968 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -60.06 143.37 52.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.57 169.81 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.235 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.58 152.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.28 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.386 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.22 -54.45 46.65 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 120.791 0.329 . . . . 1.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.68 0.06 14.45 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.787 1.28 . . . . 1.0 111.823 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.55 118.76 0.57 Allowed Glycine 0 C--N 1.277 -2.734 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.39 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 3' ' ' LEU . 67.1 Cg_exo -51.2 145.61 25.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.428 2.085 . . . . 1.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -171.31 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m 64.49 120.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.726 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 87.9 m -50.12 -177.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.185 0.517 . . . . 1.0 111.986 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -66.92 152.29 45.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.699 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.33 5.02 83.09 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.0 112.075 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p90 -173.43 135.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.581 0.229 . . . . 1.0 110.396 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 44.6 p90 -110.54 149.12 30.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 1.0 111.122 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 37.8 t -89.3 154.23 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -138.21 78.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.763 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -94.4 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -169.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -70.08 -16.78 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.75 152.06 93.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.66 -28.02 31.54 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.631 2.221 . . . . 1.0 112.227 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -86.79 130.68 34.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 m -144.62 143.3 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -168.51 166.58 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -66.94 -165.98 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.018 0.437 . . . . 1.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 5.8 tpt85 178.63 92.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 5.4 p30 -67.62 156.59 36.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -82.17 149.11 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.078 0.466 . . . . 1.0 110.635 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -95.51 -179.71 4.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.27 -0.872 . . . . 1.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.52 0.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.491 -0.244 . . . . 1.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.95 -171.37 1.63 Allowed 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 120.575 0.226 . . . . 1.0 110.702 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.79 HD23 ' SG ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -125.25 67.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.416 0.627 . . . . 1.0 110.838 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.88 -173.61 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.125 -0.943 . . . . 1.0 113.691 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.7 mt-10 -133.42 -48.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 1.0 110.601 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.16 -0.46 44.49 Favored Glycine 0 CA--C 1.472 -2.607 0 CA-C-O 125.288 2.604 . . . . 1.0 113.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 167.02 13.63 Favored 'General case' 1 C--N 1.22 -5.032 1 CA-C-N 106.994 -4.603 . . . . 1.0 110.788 -179.901 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.57 142.57 33.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.79 ' SG ' HD23 ' A' ' 3' ' ' LEU . 84.2 m -76.15 178.59 6.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.295 0.569 . . . . 1.0 111.84 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.93 154.26 30.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -8.94 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.377 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -57.04 -54.4 47.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 120.856 0.36 . . . . 1.0 111.17 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.56 ' HB3' HD11 ' A' ' 3' ' ' LEU . 8.2 t -114.01 0.07 14.22 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.791 1.281 . . . . 1.0 111.853 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.3 131.8 0.53 Allowed Glycine 0 C--N 1.276 -2.789 0 CA-C-N 112.176 -2.283 . . . . 1.0 112.376 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 51.0 Cg_exo -53.27 145.8 42.88 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.502 2.135 . . . . 1.0 112.382 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -171.0 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.197 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 63.17 137.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.4 -157.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.631 0.729 . . . . 1.0 111.854 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -87.18 150.27 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.909 -1.041 . . . . 1.0 111.305 -179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.54 6.85 85.32 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.894 -0.669 . . . . 1.0 111.914 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -172.18 127.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.704 0.288 . . . . 1.0 110.57 -179.749 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -102.63 154.43 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 1.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.72 154.76 20.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.72 104.91 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . 9.0 t -103.57 -46.99 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 58.16 -164.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -59.78 -19.69 52.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.268 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.7 tpp -68.37 137.45 91.28 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.761 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.5 -26.7 28.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.468 2.112 . . . . 1.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -95.43 114.64 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 174.07 6.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -170.25 144.31 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.682 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 93.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 153.01 44.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.615 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.59 148.99 31.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 1.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t -77.34 143.23 38.91 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.824 0 O-C-N 123.523 0.514 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.52 -0.232 . . . . 1.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.96 -167.9 0.81 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.432 0.158 . . . . 1.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 15' ' ' PRO . 1.0 OUTLIER -128.68 68.31 1.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.309 0.576 . . . . 1.0 111.228 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.3 142.89 0.77 Allowed Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.422 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -99.75 32.89 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.128 0.489 . . . . 1.0 110.811 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA2' ' CB ' ' A' ' 33' ' ' CYS . . . 136.73 -2.91 3.44 Favored Glycine 0 CA--C 1.473 -2.557 0 CA-C-O 125.255 2.586 . . . . 1.0 114.072 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.19 -163.4 0.14 Allowed 'General case' 1 C--N 1.22 -5.064 1 CA-C-N 107.063 -4.568 . . . . 1.0 110.789 179.838 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -177.75 4.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.23 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.9 176.9 9.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.839 -0.618 . . . . 1.0 111.286 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.79 156.57 17.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -6.49 35.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.396 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -57.44 -49.96 74.55 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.774 0.321 . . . . 1.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.14 -0.01 15.72 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.868 1.318 . . . . 1.0 111.808 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' HD22 ' A' ' 3' ' ' LEU . . . 78.87 112.77 0.21 Allowed Glycine 0 C--N 1.277 -2.706 0 CA-C-N 112.18 -2.282 . . . . 1.0 112.319 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HA ' HD23 ' A' ' 3' ' ' LEU . 71.7 Cg_exo -50.86 145.59 23.67 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.478 2.118 . . . . 1.0 112.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.71 -42.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 62.5 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.828 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -53.55 -157.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.741 0.781 . . . . 1.0 111.801 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 150.72 22.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.969 -1.014 . . . . 1.0 111.471 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 5.19 82.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.942 -0.647 . . . . 1.0 111.977 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 5' ' ' GLU . 1.2 p90 -172.5 137.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.704 0.287 . . . . 1.0 110.641 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 147.47 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -102.63 140.66 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -133.32 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.2 t -103.73 -50.3 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -164.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t -61.85 -18.29 59.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.7 mtt -60.09 147.02 81.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 -26.95 12.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.592 2.194 . . . . 1.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.78 131.82 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.976 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 172.31 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -170.1 147.98 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -59.69 -161.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.608 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 176.57 96.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.99 153.57 43.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.656 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -79.9 148.98 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.136 0.493 . . . . 1.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 p -80.48 -162.44 0.46 Allowed 'General case' 0 C--O 1.249 1.069 0 CA-C-O 118.155 -0.926 . . . . 1.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.801 0 O-C-N 123.529 0.518 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.0 -172.3 1.31 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.564 0.221 . . . . 1.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -120.01 67.7 0.83 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.195 0.521 . . . . 1.0 110.554 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 -31.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.679 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.08 -81.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 1.0 111.104 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.02 -0.51 48.28 Favored Glycine 0 CA--C 1.472 -2.647 0 CA-C-O 125.318 2.621 . . . . 1.0 114.049 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.64 80.76 1.92 Allowed 'General case' 1 C--N 1.219 -5.075 1 CA-C-N 107.013 -4.593 . . . . 1.0 110.977 -179.924 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 154.16 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.742 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . 4.7 m -65.02 164.65 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.285 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.52 160.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -15.6 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.203 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -56.51 -62.37 1.77 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.816 0.341 . . . . 1.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.24 -0.05 14.72 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.772 1.272 . . . . 1.0 111.824 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.32 146.48 0.63 Allowed Glycine 0 C--N 1.276 -2.779 0 CA-C-N 112.166 -2.288 . . . . 1.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.74 147.99 82.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.597 2.198 . . . . 1.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.2 p -171.15 -45.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 m 61.88 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.525 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 7.0 m -54.59 -170.29 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.0 111.242 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.98 148.12 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 1.0 111.156 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.98 -0.78 76.69 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.928 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.4 p90 -169.22 125.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 1.0 110.606 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -102.52 159.92 15.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.005 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 48.7 t -98.26 155.19 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.03 103.34 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -106.09 -30.69 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 59.81 -171.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -61.68 -19.64 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.03 151.05 94.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.73 -27.2 32.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.648 2.232 . . . . 1.0 112.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.76 129.23 37.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 3.8 m -124.65 149.06 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.04 157.25 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.09 -164.96 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.77 91.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.506 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 4.9 p30 -68.13 163.04 23.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -86.73 149.4 24.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 1.0 110.709 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -90.33 -75.55 0.46 Allowed 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.762 0 O-C-N 123.526 0.516 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.497 -0.241 . . . . 1.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.81 -173.62 0.64 Allowed 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 122.322 0.249 . . . . 1.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 9' ' ' CYS . 3.4 mt -133.65 70.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.99 42.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 1.0 112.78 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -121.1 -70.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.717 0.294 . . . . 1.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.17 -0.87 47.93 Favored Glycine 0 CA--C 1.472 -2.645 0 CA-C-O 125.311 2.617 . . . . 1.0 114.033 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.24 153.18 32.18 Favored 'General case' 1 C--N 1.22 -5.063 1 CA-C-N 107.021 -4.59 . . . . 1.0 110.941 -179.903 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -81.51 176.26 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.809 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.632 ' HA ' HD22 ' A' ' 3' ' ' LEU . 4.4 m -65.44 164.57 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.24 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.81 150.96 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.039 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -8.93 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.4 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -56.23 -53.78 53.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.818 0.342 . . . . 1.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 3' ' ' LEU . 8.2 t -112.87 -0.04 15.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.82 1.295 . . . . 1.0 111.864 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.74 115.61 0.62 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.168 -2.287 . . . . 1.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.97 145.66 24.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.44 2.093 . . . . 1.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -172.8 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.575 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.01 126.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.249 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -54.87 -169.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.138 0.494 . . . . 1.0 111.615 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.77 151.83 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.264 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.28 0.27 80.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.899 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 3.1 p90 -171.7 129.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.645 0.26 . . . . 1.0 110.36 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 148.84 23.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 1.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 49.3 t -76.42 125.78 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.283 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -105.45 59.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.313 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -67.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.963 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 59.12 179.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -70.55 -14.78 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.47 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.29 156.14 3.07 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.654 0.264 . . . . 1.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.43 -32.54 25.3 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.615 2.21 . . . . 1.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.52 134.98 37.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.66 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -127.42 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 1.0 111.539 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -174.43 164.88 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -66.43 -162.55 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.628 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -178.32 100.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 1.0 110.784 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 4.9 p30 -68.13 161.68 26.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.757 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.49 149.27 25.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.431 . . . . 1.0 110.681 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -88.46 -45.53 9.87 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.786 0 O-C-N 123.527 0.517 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.498 -0.241 . . . . 1.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p -66.58 -159.71 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.936 0.398 . . . . 1.0 111.419 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 8' ' ' LYS . 2.4 mp -132.52 71.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.39 -148.69 2.3 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.049 -0.596 . . . . 1.0 112.892 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 5.5 mt-10 -123.33 -55.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.58 -0.46 49.71 Favored Glycine 0 CA--C 1.473 -2.563 0 CA-C-O 125.303 2.613 . . . . 1.0 113.944 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.33 166.88 1.52 Allowed 'General case' 1 C--N 1.221 -4.998 1 CA-C-N 106.976 -4.612 . . . . 1.0 111.016 -179.936 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.636 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.4 ttmt -94.53 -178.67 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.534 ' HB3' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -151.24 155.76 39.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.958 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.4 165.24 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -11.02 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.367 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -56.65 -56.94 15.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.835 0.35 . . . . 1.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -111.45 -0.09 16.37 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.791 1.281 . . . . 1.0 111.824 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.09 118.11 0.08 OUTLIER Glycine 0 C--N 1.277 -2.744 0 CA-C-N 112.234 -2.257 . . . . 1.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.58 155.81 34.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.534 2.156 . . . . 1.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -170.19 -52.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 1.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 67.47 138.83 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.809 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -55.89 -167.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.006 0.431 . . . . 1.0 111.153 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 152.02 29.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.182 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 0.34 74.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.855 -0.688 . . . . 1.0 112.108 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 5' ' ' GLU . 1.6 p90 -171.58 138.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 1.0 110.475 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -117.51 145.43 44.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.5 t -101.01 154.47 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.89 104.48 4.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.702 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -99.99 -57.74 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 59.34 -176.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -19.49 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.182 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -70.92 152.12 95.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 14.7 Cg_exo -68.8 -27.26 31.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.683 2.255 . . . . 1.0 112.231 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.23 118.84 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.0 m -144.35 132.26 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -169.08 167.95 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -163.92 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.793 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.4 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.624 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.77 151.51 47.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.65 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -78.41 148.89 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 1.0 110.646 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p -70.81 -179.28 2.15 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.769 0 O-C-N 123.551 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.424 -0.27 . . . . 1.0 112.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.08 -172.59 3.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.679 0.276 . . . . 1.0 110.77 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 3' ' ' LEU . 6.6 tp -127.78 67.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.201 0.524 . . . . 1.0 110.822 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.27 -158.36 0.02 OUTLIER Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.227 -0.897 . . . . 1.0 113.551 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 6.1 mt-10 -124.03 -58.92 1.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 1.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.4 -0.42 50.3 Favored Glycine 0 CA--C 1.472 -2.602 0 CA-C-O 125.287 2.604 . . . . 1.0 113.907 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -163.48 0.0 OUTLIER 'General case' 1 C--N 1.22 -5.023 1 CA-C-N 106.986 -4.607 . . . . 1.0 110.99 -179.988 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -119.85 -178.73 3.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.51 155.52 41.26 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.071 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.13 174.85 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.79 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.21 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -57.53 -61.83 2.22 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.879 0.371 . . . . 1.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.01 -0.03 15.85 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.84 1.305 . . . . 1.0 111.793 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.14 141.9 0.01 OUTLIER Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.06 145.49 25.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.652 2.235 . . . . 1.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -171.67 -77.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 131.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.155 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.34 0.59 . . . . 1.0 111.744 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -80.38 150.92 29.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.416 -0.811 . . . . 1.0 111.42 -179.36 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.41 8.1 83.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.86 -0.686 . . . . 1.0 111.913 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.84 139.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 1.0 110.911 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.25 150.71 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.44 155.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -136.71 99.22 3.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -102.56 -58.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 61.89 -175.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -65.95 -15.43 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -56.42 149.95 36.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.95 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 15.0 Cg_exo -68.52 -29.49 30.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.626 2.217 . . . . 1.0 112.185 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.35 137.17 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -145.05 154.93 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -170.44 156.87 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.12 -166.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.881 0.372 . . . . 1.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.32 145.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 3.0 p30 -122.25 163.34 19.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.538 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -85.57 148.04 26.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.103 0.478 . . . . 1.0 110.637 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.02 179.35 3.81 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 1.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.793 0 O-C-N 123.578 0.549 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.3 m -69.95 -173.46 0.65 Allowed 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 120.645 0.259 . . . . 1.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -130.09 70.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 1.0 110.744 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 39.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 1.0 113.044 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -127.41 -69.19 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.76 0.314 . . . . 1.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.75 -1.13 49.34 Favored Glycine 0 CA--C 1.472 -2.651 0 CA-C-O 125.323 2.624 . . . . 1.0 113.926 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.95 140.9 19.25 Favored 'General case' 1 C--N 1.22 -5.038 1 CA-C-N 106.972 -4.614 . . . . 1.0 110.957 -179.899 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 171.91 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.753 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -63.64 166.21 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.206 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.84 157.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -11.39 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.316 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -56.69 -57.26 13.19 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 120.85 0.357 . . . . 1.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.837 1.303 . . . . 1.0 111.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.64 ' O ' HD13 ' A' ' 3' ' ' LEU . . . 78.67 120.19 0.26 Allowed Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.156 -2.293 . . . . 1.0 112.381 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.92 145.76 39.45 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.403 2.068 . . . . 1.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.66 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.506 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.45 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.241 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.52 -168.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.039 0.447 . . . . 1.0 111.489 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.63 151.42 36.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.261 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.51 1.64 77.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.19 133.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.74 0.305 . . . . 1.0 110.514 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.65 144.0 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 54.0 t -78.01 155.26 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.04 0.448 . . . . 1.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -147.95 85.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.665 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.56 -51.19 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.979 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.73 -167.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 -17.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 147.58 78.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -27.71 23.9 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.535 2.156 . . . . 1.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -109.2 135.72 49.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.17 169.86 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 1.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -165.5 146.42 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.581 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -64.99 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.981 0.42 . . . . 1.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.778 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.98 153.58 43.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.666 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -79.77 148.91 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 1.0 110.643 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.4 -80.62 0.55 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.185 -0.912 . . . . 1.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.583 0.552 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.521 -0.232 . . . . 1.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' HB2' ' N ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -77.15 -167.5 0.9 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.615 0.245 . . . . 1.0 110.75 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 16' ' ' SER . 7.7 mp -107.5 70.85 0.8 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.007 0.432 . . . . 1.0 111.135 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.32 -148.45 0.75 Allowed Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.744 -0.662 . . . . 1.0 113.232 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 1.2 mt-10 -125.26 -55.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 1.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.28 -0.92 54.04 Favored Glycine 0 CA--C 1.472 -2.605 0 CA-C-O 125.363 2.646 . . . . 1.0 113.963 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.42 123.34 22.88 Favored 'General case' 1 C--N 1.221 -5.019 1 CA-C-N 106.98 -4.61 . . . . 1.0 110.868 -179.936 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 143.27 55.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.4 m -66.14 173.24 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.64 152.64 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -8.7 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.313 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -57.13 -53.8 53.95 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.855 0.36 . . . . 1.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.84 0.06 14.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.843 1.306 . . . . 1.0 111.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.484 ' O ' HD21 ' A' ' 3' ' ' LEU . . . 77.39 161.76 15.25 Favored Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.42 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.51 145.2 91.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.554 2.169 . . . . 1.0 112.397 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.731 ' HB2' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -171.32 -71.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.777 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.04 124.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.806 . . . . 1.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 83.9 m -51.34 -177.14 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.593 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.33 153.87 41.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.457 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.28 79.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.924 -0.655 . . . . 1.0 112.182 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 18' ' ' CYS . 3.1 p90 -173.39 141.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 1.0 110.449 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 138.46 50.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.217 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 41.3 t -74.34 145.91 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -144.02 82.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -82.7 -48.62 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.077 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 62.85 -172.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.0 p -63.36 -17.28 62.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.42 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.76 150.14 60.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 -28.55 23.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.536 2.157 . . . . 1.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -109.27 135.97 49.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.75 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.81 167.13 9.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.228 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.638 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -73.6 -169.08 0.64 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.14 0.495 . . . . 1.0 111.309 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 111.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.387 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 153.59 43.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -78.67 148.51 33.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 1.0 110.569 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -101.98 22.58 12.82 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.773 0 O-C-N 123.55 0.531 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.481 -0.247 . . . . 1.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m -69.99 -173.48 0.66 Allowed 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 120.648 0.261 . . . . 1.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -129.69 70.89 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 1.0 110.669 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.24 38.44 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.641 -0.79 . . . . 1.0 113.041 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.85 -68.94 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.711 0.291 . . . . 1.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.61 -1.22 49.82 Favored Glycine 0 CA--C 1.471 -2.675 0 CA-C-O 125.353 2.64 . . . . 1.0 114.003 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.91 140.06 18.43 Favored 'General case' 1 C--N 1.22 -5.025 1 CA-C-N 106.978 -4.611 . . . . 1.0 110.961 -179.86 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 171.63 14.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.747 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 m -63.66 166.2 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.74 157.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -11.59 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.308 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -56.78 -57.43 12.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.876 0.369 . . . . 1.0 111.195 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -112.51 -0.04 15.36 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.839 1.304 . . . . 1.0 111.809 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.602 ' O ' HD13 ' A' ' 3' ' ' LEU . . . 78.2 120.38 0.24 Allowed Glycine 0 C--N 1.277 -2.731 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.421 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.88 145.72 39.28 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.472 2.115 . . . . 1.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -172.42 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.471 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.49 128.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.281 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.56 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.08 0.467 . . . . 1.0 111.465 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.69 151.4 36.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.252 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 1.67 77.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.872 -0.68 . . . . 1.0 112.067 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.24 133.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 1.0 110.487 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -106.02 144.38 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.4 t -79.29 155.28 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.232 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -147.6 88.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.645 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.84 -44.65 8.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.994 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 -167.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -17.25 63.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -65.33 149.49 96.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 30' ' ' TYR . 55.4 Cg_endo -70.01 -27.82 24.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 1.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' ' HG2' ' A' ' 29' ' ' PRO . 15.1 m-85 -99.02 144.16 28.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 171.58 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 147.13 4.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.65 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -165.07 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.009 0.433 . . . . 1.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 179.16 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.806 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.97 153.15 44.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.646 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.44 148.9 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 1.0 110.664 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 m -106.43 128.45 54.06 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.513 0.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.534 -0.226 . . . . 1.0 112.534 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.5 m -69.94 -173.67 0.67 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 120.643 0.258 . . . . 1.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -129.6 70.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 1.0 110.659 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.15 38.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.665 -0.779 . . . . 1.0 112.971 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -128.5 -68.36 0.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.772 0.32 . . . . 1.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.37 -1.07 50.57 Favored Glycine 0 CA--C 1.472 -2.631 0 CA-C-O 125.306 2.614 . . . . 1.0 113.934 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.52 149.55 27.8 Favored 'General case' 1 C--N 1.22 -5.03 1 CA-C-N 106.998 -4.601 . . . . 1.0 110.955 -179.835 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 170.91 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.77 166.43 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.23 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.51 157.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.017 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -11.34 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.307 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -56.43 -57.43 12.35 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.87 0.367 . . . . 1.0 111.213 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.443 ' HB3' HD21 ' A' ' 3' ' ' LEU . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.843 1.306 . . . . 1.0 111.876 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.625 ' O ' HD22 ' A' ' 3' ' ' LEU . . . 78.59 120.02 0.25 Allowed Glycine 0 C--N 1.277 -2.749 0 CA-C-N 112.181 -2.281 . . . . 1.0 112.372 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.52 145.87 35.84 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.467 2.111 . . . . 1.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -172.17 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.517 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.51 129.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.237 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.76 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.449 . . . . 1.0 111.433 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.14 151.41 35.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.237 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.37 77.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.119 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.02 133.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 1.0 110.542 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -106.01 145.09 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 52.8 t -80.25 155.26 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.279 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -146.89 88.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.628 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 -44.67 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.965 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.74 -167.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 t -64.05 -17.37 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.273 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -65.44 149.51 97.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.18 -27.82 23.97 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.568 2.179 . . . . 1.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -98.7 143.37 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 171.92 9.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -168.95 147.25 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.629 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -164.82 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.976 0.417 . . . . 1.0 110.882 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.01 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.741 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -68.04 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.628 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -80.15 148.93 30.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.085 0.469 . . . . 1.0 110.632 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.42 -78.16 0.58 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.799 0 O-C-N 123.531 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.455 -0.258 . . . . 1.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.5 m -76.37 -173.18 2.38 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.666 0.27 . . . . 1.0 110.722 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.649 HD13 ' SG ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -122.39 66.71 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 1.0 110.741 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.95 -167.88 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.126 -0.943 . . . . 1.0 113.586 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.2 mt-10 -134.79 -47.02 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 1.0 110.647 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.5 -0.59 46.74 Favored Glycine 0 CA--C 1.473 -2.58 0 CA-C-O 125.285 2.603 . . . . 1.0 113.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 164.12 16.96 Favored 'General case' 1 C--N 1.22 -5.027 1 CA-C-N 107.028 -4.586 . . . . 1.0 110.892 179.984 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -102.42 142.56 33.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.649 ' SG ' HD13 ' A' ' 3' ' ' LEU . 89.5 m -78.24 178.27 7.75 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.314 0.578 . . . . 1.0 111.842 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.52 155.87 29.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -9.33 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.358 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -56.9 -54.89 41.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.794 0.331 . . . . 1.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.92 0.04 14.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.825 1.298 . . . . 1.0 111.866 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.86 129.88 0.39 Allowed Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.207 -2.27 . . . . 1.0 112.342 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.615 ' HA ' HD13 ' A' ' 3' ' ' LEU . 50.7 Cg_exo -53.45 146.08 43.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.473 2.116 . . . . 1.0 112.363 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -170.3 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 62.55 137.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.686 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -157.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.615 0.721 . . . . 1.0 111.788 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 150.12 24.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.891 -1.05 . . . . 1.0 111.294 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 6.77 85.13 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.827 -0.702 . . . . 1.0 111.887 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.79 126.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 1.0 110.592 -179.726 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.8 149.94 24.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 1.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 155.1 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.23 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.94 105.01 3.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.726 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 t -102.71 -42.05 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 60.73 -166.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -63.35 -17.66 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.69 148.13 96.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 -27.25 16.48 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.537 2.158 . . . . 1.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -93.5 131.15 39.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 174.49 6.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -170.36 144.97 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -162.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 96.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.633 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.13 155.52 38.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.523 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.85 149.59 21.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.211 0.529 . . . . 1.0 110.467 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -175.55 2.23 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.558 0.536 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.507 -0.237 . . . . 1.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.0 m -70.19 -173.23 0.66 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 122.299 0.24 . . . . 1.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 13' ' ' SER . 0.1 OUTLIER -133.11 71.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.0 110.649 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.38 40.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.658 -0.782 . . . . 1.0 112.867 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.68 -68.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 1.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.56 -1.07 49.95 Favored Glycine 0 CA--C 1.472 -2.636 0 CA-C-O 125.328 2.627 . . . . 1.0 113.983 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -153.5 138.84 17.56 Favored 'General case' 1 C--N 1.22 -5.047 1 CA-C-N 107.006 -4.597 . . . . 1.0 110.965 -179.827 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 177.43 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.799 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.22 164.69 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 157.15 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -13.97 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.221 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -56.05 -60.46 3.46 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.863 0.364 . . . . 1.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 3' ' ' LEU . 8.4 t -113.8 0.05 14.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.81 1.291 . . . . 1.0 111.823 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 3' ' ' LEU . . . 75.77 145.59 1.52 Allowed Glycine 0 C--N 1.276 -2.751 0 CA-C-N 112.111 -2.313 . . . . 1.0 112.39 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.64 148.24 82.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.546 2.164 . . . . 1.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m 63.06 123.05 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.56 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.7 m -55.64 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 1.0 111.567 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.23 150.07 45.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.49 2.95 81.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.935 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.6 p90 -171.62 132.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.711 0.291 . . . . 1.0 110.388 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -113.97 146.77 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 111.132 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 45.4 t -84.69 154.0 22.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.03 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -141.31 81.7 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.88 -55.02 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 59.94 -176.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -66.49 -17.83 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 156.15 92.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 -27.78 32.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.709 2.272 . . . . 1.0 112.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.79 124.05 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.5 m -144.73 135.98 25.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -169.98 170.92 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -67.18 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.045 0.45 . . . . 1.0 110.939 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.45 91.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.48 151.34 47.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.46 148.99 33.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 1.0 110.702 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -106.54 159.73 15.95 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.792 0 O-C-N 123.564 0.54 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.469 -0.252 . . . . 1.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 m -76.93 -175.28 3.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.706 0.288 . . . . 1.0 110.759 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 15' ' ' PRO . 4.6 tp -118.1 65.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.384 0.612 . . . . 1.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.0 -165.51 0.01 OUTLIER Glycine 0 CA--C 1.517 0.196 0 CA-C-N 114.962 -1.017 . . . . 1.0 113.644 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 mt-10 -124.23 -46.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.91 0.27 36.01 Favored Glycine 0 CA--C 1.473 -2.583 0 CA-C-O 125.311 2.617 . . . . 1.0 113.764 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.54 163.84 22.63 Favored 'General case' 1 C--N 1.22 -5.036 1 CA-C-N 106.941 -4.63 . . . . 1.0 111.123 -179.745 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -90.9 -177.63 5.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.13 159.0 44.38 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.147 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.94 168.15 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -10.95 36.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.319 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.43 -56.72 18.16 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.777 0.322 . . . . 1.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -111.74 -0.1 16.08 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.802 1.287 . . . . 1.0 111.873 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.56 119.12 0.08 OUTLIER Glycine 0 C--N 1.276 -2.776 0 CA-C-N 112.19 -2.277 . . . . 1.0 112.419 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 36.0 Cg_exo -57.54 148.31 73.63 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.472 2.115 . . . . 1.0 112.309 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -170.31 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.069 0.461 . . . . 1.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 66.03 139.89 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.512 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -157.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.609 0.718 . . . . 1.0 111.867 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 150.85 23.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.342 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 3.85 81.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.894 -0.67 . . . . 1.0 112.056 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 2.4 p90 -172.72 127.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.682 0.277 . . . . 1.0 110.529 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -111.16 146.42 36.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 1.0 111.07 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.2 t -102.4 154.94 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.5 t -138.43 109.44 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.655 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -107.67 -65.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.02 -168.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 p -63.62 -17.6 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 144.17 97.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -27.15 24.89 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.482 2.121 . . . . 1.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -86.27 117.53 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.96 140.77 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -170.12 167.91 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -164.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.712 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 176.39 91.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.609 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.49 148.7 51.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.625 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.61 148.86 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.117 0.484 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m -87.9 136.4 32.98 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.798 0 O-C-N 123.572 0.545 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.496 -0.242 . . . . 1.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.98 -172.96 0.59 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 120.614 0.245 . . . . 1.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -130.22 70.06 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 1.0 110.729 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.42 36.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 1.0 112.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -128.23 -67.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.756 0.312 . . . . 1.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.19 -0.97 51.12 Favored Glycine 0 CA--C 1.472 -2.621 0 CA-C-O 125.303 2.613 . . . . 1.0 113.976 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -150.97 163.8 37.89 Favored 'General case' 1 C--N 1.22 -5.041 1 CA-C-N 107.016 -4.592 . . . . 1.0 110.997 -179.895 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 162.76 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.805 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -64.09 176.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.139 0.495 . . . . 1.0 111.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.68 158.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -12.18 39.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.258 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -57.15 -58.05 9.9 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.818 0.342 . . . . 1.0 111.221 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.86 -0.02 15.03 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.783 1.278 . . . . 1.0 111.807 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.32 123.78 0.19 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.178 -2.283 . . . . 1.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HA ' HD23 ' A' ' 3' ' ' LEU . 52.8 Cg_exo -54.72 152.31 28.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.465 2.11 . . . . 1.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.19 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.231 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 m 62.81 132.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.508 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.72 -169.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.068 0.461 . . . . 1.0 111.28 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 150.22 38.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.111 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 2.1 78.96 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.844 -0.693 . . . . 1.0 112.063 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -171.14 131.53 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.44 151.91 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.984 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.56 155.15 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.176 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -146.62 101.7 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -98.14 -42.98 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 58.81 -168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -17.99 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.28 147.77 90.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 -27.02 23.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.169 . . . . 1.0 112.379 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.86 141.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 174.37 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -170.04 148.0 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -164.13 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -67.5 155.4 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.35 149.11 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 1.0 110.673 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -105.17 178.44 4.56 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.819 0 O-C-N 123.56 0.537 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.492 -0.243 . . . . 1.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.01 -170.29 1.34 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.591 0.234 . . . . 1.0 110.66 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD23 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -125.68 67.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.442 0.639 . . . . 1.0 110.907 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.74 -176.18 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.112 -0.949 . . . . 1.0 113.746 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.0 mt-10 -132.69 -48.54 0.89 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 1.0 110.603 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.49 -0.59 46.76 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-O 125.287 2.604 . . . . 1.0 113.936 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.48 165.59 13.72 Favored 'General case' 1 C--N 1.221 -5.018 1 CA-C-N 106.96 -4.62 . . . . 1.0 110.852 -179.982 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.39 142.65 33.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.551 ' SG ' HD23 ' A' ' 3' ' ' LEU . 72.5 m -75.78 176.75 7.47 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.643 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.69 152.45 37.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -10.0 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.322 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -56.65 -55.73 30.36 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.837 0.351 . . . . 1.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -114.21 -0.05 14.05 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.816 1.293 . . . . 1.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.35 148.74 4.7 Favored Glycine 0 C--N 1.277 -2.742 0 CA-C-N 112.221 -2.263 . . . . 1.0 112.373 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HA ' HD22 ' A' ' 3' ' ' LEU . 45.5 Cg_endo -68.6 149.26 73.81 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.566 2.177 . . . . 1.0 112.349 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -170.72 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 62.36 138.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.03 -157.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.64 0.734 . . . . 1.0 111.787 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -87.56 149.95 24.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.905 -1.043 . . . . 1.0 111.325 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.78 6.78 84.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.879 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.7 126.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 1.0 110.64 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -102.24 153.2 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.92 155.28 18.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.0 100.41 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.701 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.89 -40.48 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.75 -167.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -63.45 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.15 145.98 94.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.38 -27.55 33.86 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.554 2.17 . . . . 1.0 112.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.07 135.4 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 176.22 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.26 142.11 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.655 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.09 95.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 152.36 45.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -79.07 148.99 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.131 0.491 . . . . 1.0 110.635 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -7.23 50.72 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.235 -0.888 . . . . 1.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.796 0 O-C-N 123.504 0.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 57.1 m -70.23 -172.98 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.628 0.251 . . . . 1.0 110.827 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.43 70.83 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 1.0 110.67 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.9 38.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.566 -0.826 . . . . 1.0 113.037 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 2' ' ' CYS . 5.8 mt-10 -127.45 -67.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 1.0 111.089 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.32 -1.0 50.72 Favored Glycine 0 CA--C 1.472 -2.615 0 CA-C-O 125.283 2.602 . . . . 1.0 114.054 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.35 154.35 34.36 Favored 'General case' 1 C--N 1.22 -5.048 1 CA-C-N 107.01 -4.595 . . . . 1.0 111.03 -179.837 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -94.61 164.34 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.722 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 79.5 m -64.26 176.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.21 0.529 . . . . 1.0 111.515 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.61 159.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -12.06 38.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -57.17 -58.0 10.14 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.836 0.35 . . . . 1.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.6 -0.03 15.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.837 1.303 . . . . 1.0 111.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 121.38 0.15 Allowed Glycine 0 C--N 1.276 -2.753 0 CA-C-N 112.174 -2.285 . . . . 1.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.2 149.85 27.03 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.454 2.103 . . . . 1.0 112.246 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -170.11 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m 62.76 130.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.471 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.06 -168.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.028 0.442 . . . . 1.0 111.302 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 149.72 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.198 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.55 2.35 79.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.891 -0.671 . . . . 1.0 111.952 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -171.32 133.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 1.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -108.03 153.01 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.964 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.88 155.64 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 1.0 111.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.1 99.5 3.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.679 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.6 t -97.31 -40.8 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.63 -167.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -62.79 -17.94 61.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -69.86 143.27 91.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.6 -27.71 38.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.479 2.119 . . . . 1.0 112.225 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -93.49 130.51 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -117.29 173.6 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -170.03 146.09 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.31 -164.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.865 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 90.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.25 153.57 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.682 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -80.11 149.1 30.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.129 0.49 . . . . 1.0 110.588 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -75.66 -48.33 22.54 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 CA-C-N 118.289 0.495 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.458 -0.257 . . . . 1.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.28 -174.81 3.88 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.777 0.322 . . . . 1.0 110.706 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 9' ' ' CYS . 6.7 tp -121.61 65.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.379 0.609 . . . . 1.0 110.697 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.45 -160.9 0.01 OUTLIER Glycine 0 CA--C 1.517 0.214 0 CA-C-N 114.908 -1.042 . . . . 1.0 113.847 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.9 mt-10 -131.2 -53.8 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.347 . . . . 1.0 110.729 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.47 -0.98 53.44 Favored Glycine 0 CA--C 1.472 -2.636 0 CA-C-O 125.377 2.654 . . . . 1.0 113.976 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -170.54 0.4 Allowed 'General case' 1 C--N 1.221 -5.012 1 CA-C-N 107.029 -4.586 . . . . 1.0 110.76 179.915 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 142.55 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.054 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' HA ' HD21 ' A' ' 3' ' ' LEU . 3.2 m -77.6 162.31 27.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.215 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.25 147.55 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.34 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.382 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -56.35 -54.49 44.84 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.814 0.34 . . . . 1.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.81 0.03 14.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.857 1.313 . . . . 1.0 111.811 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.59 147.4 4.26 Favored Glycine 0 C--N 1.277 -2.739 0 CA-C-N 112.171 -2.286 . . . . 1.0 112.358 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HA ' HD22 ' A' ' 3' ' ' LEU . 35.8 Cg_endo -65.62 146.75 85.15 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.454 2.102 . . . . 1.0 112.387 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -171.68 -54.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.91 136.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.517 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -158.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.472 0.653 . . . . 1.0 111.844 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -84.4 150.34 25.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.071 -0.968 . . . . 1.0 111.288 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.64 85.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.692 . . . . 1.0 111.903 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.73 124.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.444 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.62 147.52 30.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 1.0 111.061 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.72 154.01 19.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -136.41 86.79 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.78 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.85 -59.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 59.58 -176.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.5 p -62.61 -18.89 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -70.74 153.9 94.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.71 -27.44 31.89 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.65 2.233 . . . . 1.0 112.23 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.97 122.2 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.74 137.41 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -170.11 168.73 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.802 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -164.03 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.715 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.73 94.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 150.54 48.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.559 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -77.82 148.92 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.069 0.461 . . . . 1.0 110.65 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -83.91 -61.48 1.81 Allowed 'General case' 0 C--O 1.249 1.034 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.537 0.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.541 -0.224 . . . . 1.0 112.541 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 m -76.37 -169.92 1.33 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.557 0.218 . . . . 1.0 110.69 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -124.5 66.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.436 0.636 . . . . 1.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.1 -177.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.065 -0.97 . . . . 1.0 113.802 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.2 mt-10 -133.35 -50.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 1.0 110.588 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.52 -0.58 46.65 Favored Glycine 0 CA--C 1.472 -2.61 0 CA-C-O 125.3 2.611 . . . . 1.0 113.948 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.82 -172.3 3.93 Favored 'General case' 1 C--N 1.22 -5.046 1 CA-C-N 106.987 -4.607 . . . . 1.0 110.816 -179.977 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.31 142.55 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 3' ' ' LEU . 86.6 m -76.97 177.4 7.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.689 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.94 151.87 35.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.078 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -9.59 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.39 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -56.66 -55.43 34.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.793 0.33 . . . . 1.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -114.5 0.07 13.89 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.826 1.298 . . . . 1.0 111.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.29 148.49 5.36 Favored Glycine 0 C--N 1.276 -2.762 0 CA-C-N 112.192 -2.276 . . . . 1.0 112.408 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HA ' HD22 ' A' ' 3' ' ' LEU . 47.5 Cg_endo -68.91 149.03 71.79 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.585 2.19 . . . . 1.0 112.453 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -171.26 -47.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.8 m 62.29 140.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.814 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -54.87 -157.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.672 0.749 . . . . 1.0 111.796 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -88.75 149.82 23.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.301 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.89 6.63 84.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.857 -0.687 . . . . 1.0 111.852 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 1.1 p90 -171.88 124.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 1.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -99.45 155.74 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 1.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.55 155.21 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -144.33 101.1 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.739 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -98.72 -43.05 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 58.83 -168.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -63.0 -17.87 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.28 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 mtt -61.01 149.51 81.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 -27.0 21.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.624 2.216 . . . . 1.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -105.53 146.08 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 176.86 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ptt85 -170.06 142.94 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.27 98.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -67.31 159.12 29.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.0 149.86 21.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 1.0 110.462 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.8 178.47 7.31 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.274 -0.87 . . . . 1.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.759 0 O-C-N 123.521 0.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.527 -0.229 . . . . 1.0 112.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m -71.47 -173.18 0.87 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.631 0.253 . . . . 1.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 13' ' ' SER . 0.6 OUTLIER -126.87 69.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 1.0 110.642 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 36.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 1.0 112.997 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.03 -68.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 1.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.42 -1.0 50.37 Favored Glycine 0 CA--C 1.472 -2.629 0 CA-C-O 125.363 2.646 . . . . 1.0 114.061 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -151.74 136.75 17.32 Favored 'General case' 1 C--N 1.22 -5.023 1 CA-C-N 106.972 -4.614 . . . . 1.0 110.976 -179.933 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -82.64 164.99 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 m -64.95 165.13 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.221 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.29 160.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -12.66 37.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.274 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -57.08 -58.57 7.62 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.81 0.338 . . . . 1.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.44 ' HB2' HD21 ' A' ' 3' ' ' LEU . 58.2 m -112.49 -0.09 15.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.799 1.285 . . . . 1.0 111.771 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.47 121.76 0.1 OUTLIER Glycine 0 C--N 1.276 -2.781 0 CA-C-N 112.224 -2.262 . . . . 1.0 112.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.55 146.2 34.77 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.434 2.089 . . . . 1.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.315 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m 63.0 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.48 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 3.1 m -55.69 -169.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.012 0.434 . . . . 1.0 111.404 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.77 148.82 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.123 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.45 1.89 80.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.889 -0.672 . . . . 1.0 111.916 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.4 p90 -171.13 135.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 1.0 110.433 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -117.17 154.97 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.085 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 t -99.74 155.7 17.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.09 0.471 . . . . 1.0 111.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -134.24 90.5 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -103.51 -67.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.974 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.54 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -63.84 -17.39 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.6 mtm -65.53 148.14 98.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 -27.47 15.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.561 2.174 . . . . 1.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -90.37 123.86 34.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.21 147.09 41.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -170.2 169.01 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -165.88 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 177.91 89.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.4 149.81 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.46 148.9 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.075 0.464 . . . . 1.0 110.616 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -75.26 154.13 37.64 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 118.215 -0.897 . . . . 1.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.803 0 O-C-N 123.551 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 1.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.57 169.81 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.235 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.58 152.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.28 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.386 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.22 -54.45 46.65 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 120.791 0.329 . . . . 1.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.68 0.06 14.45 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.787 1.28 . . . . 1.0 111.823 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.55 118.76 0.57 Allowed Glycine 0 C--N 1.277 -2.734 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.39 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.2 145.61 25.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.428 2.085 . . . . 1.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -171.31 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m 64.49 120.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.726 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 87.9 m -50.12 -177.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.185 0.517 . . . . 1.0 111.986 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -66.92 152.29 45.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.699 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.33 5.02 83.09 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.0 112.075 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p90 -173.43 135.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.581 0.229 . . . . 1.0 110.396 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 44.6 p90 -110.54 149.12 30.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 1.0 111.122 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 37.8 t -89.3 154.23 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -138.21 78.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.763 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -94.4 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -169.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -70.08 -16.78 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.75 152.06 93.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.66 -28.02 31.54 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.631 2.221 . . . . 1.0 112.227 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -86.79 130.68 34.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 m -144.62 143.3 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -168.51 166.58 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -66.94 -165.98 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.018 0.437 . . . . 1.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 5.8 tpt85 178.63 92.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -67.62 156.59 36.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.727 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -82.17 149.11 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.078 0.466 . . . . 1.0 110.635 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.27 -0.872 . . . . 1.0 110.885 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.935 0.398 . . . . 1.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -76.15 178.59 6.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.295 0.569 . . . . 1.0 111.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.93 154.26 30.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -8.94 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.377 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -57.04 -54.4 47.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 120.856 0.36 . . . . 1.0 111.17 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -114.01 0.07 14.22 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.791 1.281 . . . . 1.0 111.853 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.3 131.8 0.53 Allowed Glycine 0 C--N 1.276 -2.789 0 CA-C-N 112.176 -2.283 . . . . 1.0 112.376 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' CG ' ' HB2' ' A' ' 25' ' ' CYS . 51.0 Cg_exo -53.27 145.8 42.88 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.502 2.135 . . . . 1.0 112.382 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -171.0 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.197 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 63.17 137.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.4 -157.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.631 0.729 . . . . 1.0 111.854 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -87.18 150.27 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.909 -1.041 . . . . 1.0 111.305 -179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.54 6.85 85.32 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.894 -0.669 . . . . 1.0 111.914 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -172.18 127.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.704 0.288 . . . . 1.0 110.57 -179.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -102.63 154.43 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 1.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.72 154.76 20.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.72 104.91 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . 9.0 t -103.57 -46.99 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 58.16 -164.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -59.78 -19.69 52.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.268 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.7 tpp -68.37 137.45 91.28 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.761 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.5 -26.7 28.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.468 2.112 . . . . 1.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -95.43 114.64 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 174.07 6.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -170.25 144.31 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.682 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 93.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 153.01 44.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.615 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.59 148.99 31.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 1.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.917 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.969 0.414 . . . . 1.0 111.23 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.9 176.9 9.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.839 -0.618 . . . . 1.0 111.286 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.79 156.57 17.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -6.49 35.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.396 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -57.44 -49.96 74.55 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.774 0.321 . . . . 1.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.14 -0.01 15.72 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.868 1.318 . . . . 1.0 111.808 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.87 112.77 0.21 Allowed Glycine 0 C--N 1.277 -2.706 0 CA-C-N 112.18 -2.282 . . . . 1.0 112.319 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.86 145.59 23.67 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.478 2.118 . . . . 1.0 112.428 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.71 -42.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 62.5 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.828 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -53.55 -157.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.741 0.781 . . . . 1.0 111.801 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 150.72 22.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.969 -1.014 . . . . 1.0 111.471 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 5.19 82.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.942 -0.647 . . . . 1.0 111.977 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.419 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.2 p90 -172.5 137.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.704 0.287 . . . . 1.0 110.641 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 147.47 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -102.63 140.66 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -133.32 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.2 t -103.73 -50.3 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -164.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t -61.85 -18.29 59.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.7 mtt -60.09 147.02 81.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 -26.95 12.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.592 2.194 . . . . 1.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.78 131.82 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.976 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 172.31 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -170.1 147.98 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -59.69 -161.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.608 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 176.57 96.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.99 153.57 43.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.656 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -79.9 148.98 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.136 0.493 . . . . 1.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.155 -0.926 . . . . 1.0 110.944 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 1.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . 4.7 m -65.02 164.65 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.285 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.52 160.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -15.6 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.203 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -56.51 -62.37 1.77 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.816 0.341 . . . . 1.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.24 -0.05 14.72 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.772 1.272 . . . . 1.0 111.824 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.32 146.48 0.63 Allowed Glycine 0 C--N 1.276 -2.779 0 CA-C-N 112.166 -2.288 . . . . 1.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.74 147.99 82.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.597 2.198 . . . . 1.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.2 p -171.15 -45.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 m 61.88 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.525 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 7.0 m -54.59 -170.29 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.0 111.242 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.98 148.12 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 1.0 111.156 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.98 -0.78 76.69 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.928 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.4 p90 -169.22 125.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 1.0 110.606 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -102.52 159.92 15.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.005 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 48.7 t -98.26 155.19 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.03 103.34 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -106.09 -30.69 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 59.81 -171.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -61.68 -19.64 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.03 151.05 94.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.73 -27.2 32.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.648 2.232 . . . . 1.0 112.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.76 129.23 37.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 3.8 m -124.65 149.06 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.04 157.25 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.09 -164.96 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.77 91.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.506 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -68.13 163.04 23.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.879 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -86.73 149.4 24.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 1.0 110.709 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.858 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.331 . . . . 1.0 110.809 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.44 164.57 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.81 150.96 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.039 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -8.93 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.4 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -56.23 -53.78 53.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.818 0.342 . . . . 1.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.87 -0.04 15.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.82 1.295 . . . . 1.0 111.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.74 115.61 0.62 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.168 -2.287 . . . . 1.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.97 145.66 24.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.44 2.093 . . . . 1.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -172.8 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.575 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.01 126.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.249 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -54.87 -169.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.138 0.494 . . . . 1.0 111.615 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.77 151.83 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.264 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.28 0.27 80.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.899 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 3.1 p90 -171.7 129.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.645 0.26 . . . . 1.0 110.36 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 148.84 23.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 1.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 49.3 t -76.42 125.78 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.283 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -105.45 59.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.313 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -67.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.963 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 59.12 179.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -70.55 -14.78 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.47 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.29 156.14 3.07 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.654 0.264 . . . . 1.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.43 -32.54 25.3 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.615 2.21 . . . . 1.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.52 134.98 37.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.66 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -127.42 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 1.0 111.539 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -174.43 164.88 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -66.43 -162.55 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.628 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -178.32 100.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 1.0 110.784 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -68.13 161.68 26.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.49 149.27 25.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.431 . . . . 1.0 110.681 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.926 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.935 0.398 . . . . 1.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.24 155.76 39.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.958 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.4 165.24 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -11.02 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.367 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -56.65 -56.94 15.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.835 0.35 . . . . 1.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -111.45 -0.09 16.37 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.791 1.281 . . . . 1.0 111.824 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.09 118.11 0.08 OUTLIER Glycine 0 C--N 1.277 -2.744 0 CA-C-N 112.234 -2.257 . . . . 1.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.58 155.81 34.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.534 2.156 . . . . 1.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -170.19 -52.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 1.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 67.47 138.83 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.809 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -55.89 -167.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.006 0.431 . . . . 1.0 111.153 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 152.02 29.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.182 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 0.34 74.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.855 -0.688 . . . . 1.0 112.108 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.6 p90 -171.58 138.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 1.0 110.475 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -117.51 145.43 44.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.5 t -101.01 154.47 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.89 104.48 4.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.702 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -99.99 -57.74 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 59.34 -176.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -19.49 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.182 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -70.92 152.12 95.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 14.7 Cg_exo -68.8 -27.26 31.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.683 2.255 . . . . 1.0 112.231 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.23 118.84 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.0 m -144.35 132.26 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -169.08 167.95 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -163.92 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.793 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.4 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.624 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.77 151.51 47.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.65 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -78.41 148.89 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 1.0 110.646 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.905 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.889 0.376 . . . . 1.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.51 155.52 41.26 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.071 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.13 174.85 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.79 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.21 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -57.53 -61.83 2.22 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.879 0.371 . . . . 1.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.01 -0.03 15.85 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.84 1.305 . . . . 1.0 111.793 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.14 141.9 0.01 OUTLIER Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.06 145.49 25.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.652 2.235 . . . . 1.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -171.67 -77.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 131.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.155 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.34 0.59 . . . . 1.0 111.744 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -80.38 150.92 29.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.416 -0.811 . . . . 1.0 111.42 -179.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.41 8.1 83.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.86 -0.686 . . . . 1.0 111.913 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -171.84 139.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 1.0 110.911 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.25 150.71 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.44 155.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -136.71 99.22 3.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -102.56 -58.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 61.89 -175.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -65.95 -15.43 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -56.42 149.95 36.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.95 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 15.0 Cg_exo -68.52 -29.49 30.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.626 2.217 . . . . 1.0 112.185 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.35 137.17 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -145.05 154.93 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -170.44 156.87 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.12 -166.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.881 0.372 . . . . 1.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.32 145.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -122.25 163.34 19.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.538 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -85.57 148.04 26.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.103 0.478 . . . . 1.0 110.637 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 1.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.338 . . . . 1.0 110.753 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -63.64 166.21 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.206 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.84 157.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -11.39 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.316 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -56.69 -57.26 13.19 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 120.85 0.357 . . . . 1.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.837 1.303 . . . . 1.0 111.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.67 120.19 0.26 Allowed Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.156 -2.293 . . . . 1.0 112.381 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.92 145.76 39.45 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.403 2.068 . . . . 1.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.66 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.506 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.45 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.241 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.52 -168.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.039 0.447 . . . . 1.0 111.489 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.63 151.42 36.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.261 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.51 1.64 77.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.19 133.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.74 0.305 . . . . 1.0 110.514 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.65 144.0 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 54.0 t -78.01 155.26 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.04 0.448 . . . . 1.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -147.95 85.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.665 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.56 -51.19 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.979 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.73 -167.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 -17.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 147.58 78.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -27.71 23.9 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.535 2.156 . . . . 1.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -109.2 135.72 49.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.17 169.86 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 1.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -165.5 146.42 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.581 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -64.99 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.981 0.42 . . . . 1.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.778 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.98 153.58 43.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.666 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -79.77 148.91 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 1.0 110.643 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.185 -0.912 . . . . 1.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.14 173.24 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.64 152.64 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -8.7 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.313 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -57.13 -53.8 53.95 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.855 0.36 . . . . 1.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.84 0.06 14.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.843 1.306 . . . . 1.0 111.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.39 161.76 15.25 Favored Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.42 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.51 145.2 91.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.554 2.169 . . . . 1.0 112.397 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.32 -71.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.04 124.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.806 . . . . 1.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 83.9 m -51.34 -177.14 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.593 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.33 153.87 41.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.457 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.28 79.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.924 -0.655 . . . . 1.0 112.182 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 18' ' ' CYS . 3.1 p90 -173.39 141.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 1.0 110.449 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 138.46 50.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.217 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 41.3 t -74.34 145.91 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -144.02 82.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -82.7 -48.62 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.077 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 62.85 -172.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.0 p -63.36 -17.28 62.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.42 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.76 150.14 60.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 -28.55 23.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.536 2.157 . . . . 1.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -109.27 135.97 49.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.75 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.81 167.13 9.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.228 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.638 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -73.6 -169.08 0.64 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.14 0.495 . . . . 1.0 111.309 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 111.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.387 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 153.59 43.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -78.67 148.51 33.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 1.0 110.569 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.906 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.745 0.307 . . . . 1.0 110.747 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 m -63.66 166.2 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.74 157.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -11.59 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.308 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -56.78 -57.43 12.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.876 0.369 . . . . 1.0 111.195 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -112.51 -0.04 15.36 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.839 1.304 . . . . 1.0 111.809 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 120.38 0.24 Allowed Glycine 0 C--N 1.277 -2.731 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.421 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.88 145.72 39.28 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.472 2.115 . . . . 1.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -172.42 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.471 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.49 128.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.281 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.56 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.08 0.467 . . . . 1.0 111.465 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.69 151.4 36.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.252 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 1.67 77.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.872 -0.68 . . . . 1.0 112.067 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.24 133.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 1.0 110.487 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -106.02 144.38 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.4 t -79.29 155.28 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.232 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -147.6 88.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.645 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.84 -44.65 8.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.994 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 -167.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -17.25 63.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -65.33 149.49 96.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 30' ' ' TYR . 55.4 Cg_endo -70.01 -27.82 24.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 1.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' ' HG2' ' A' ' 29' ' ' PRO . 15.1 m-85 -99.02 144.16 28.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 171.58 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 147.13 4.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.65 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -165.07 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.009 0.433 . . . . 1.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 179.16 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.806 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.97 153.15 44.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.646 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.44 148.9 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 1.0 110.664 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.91 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 1.0 110.785 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.77 166.43 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.23 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.51 157.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.017 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -11.34 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.307 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -56.43 -57.43 12.35 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.87 0.367 . . . . 1.0 111.213 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.843 1.306 . . . . 1.0 111.876 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.59 120.02 0.25 Allowed Glycine 0 C--N 1.277 -2.749 0 CA-C-N 112.181 -2.281 . . . . 1.0 112.372 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.52 145.87 35.84 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.467 2.111 . . . . 1.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -172.17 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.517 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.51 129.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.237 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.76 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.449 . . . . 1.0 111.433 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.14 151.41 35.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.237 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.37 77.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.119 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.02 133.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 1.0 110.542 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -106.01 145.09 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 52.8 t -80.25 155.26 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.279 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -146.89 88.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.628 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 -44.67 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.965 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.74 -167.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 t -64.05 -17.37 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.273 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -65.44 149.51 97.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.18 -27.82 23.97 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.568 2.179 . . . . 1.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -98.7 143.37 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 171.92 9.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -168.95 147.25 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.629 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -164.82 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.976 0.417 . . . . 1.0 110.882 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.01 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.741 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -68.04 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.628 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -80.15 148.93 30.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.085 0.469 . . . . 1.0 110.632 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 pttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.941 0.4 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m -78.24 178.27 7.75 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.314 0.578 . . . . 1.0 111.842 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.52 155.87 29.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -9.33 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.358 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -56.9 -54.89 41.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.794 0.331 . . . . 1.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.92 0.04 14.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.825 1.298 . . . . 1.0 111.866 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.86 129.88 0.39 Allowed Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.207 -2.27 . . . . 1.0 112.342 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.45 146.08 43.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.473 2.116 . . . . 1.0 112.363 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -170.3 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 62.55 137.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.686 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -157.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.615 0.721 . . . . 1.0 111.788 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 150.12 24.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.891 -1.05 . . . . 1.0 111.294 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 6.77 85.13 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.827 -0.702 . . . . 1.0 111.887 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.79 126.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 1.0 110.592 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.8 149.94 24.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 1.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 155.1 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.23 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.94 105.01 3.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.726 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 t -102.71 -42.05 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 60.73 -166.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -63.35 -17.66 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.69 148.13 96.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 -27.25 16.48 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.537 2.158 . . . . 1.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -93.5 131.15 39.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 174.49 6.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -170.36 144.97 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -162.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 96.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.633 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.13 155.52 38.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.523 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.85 149.59 21.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.211 0.529 . . . . 1.0 110.467 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.929 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.747 0.308 . . . . 1.0 110.799 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.22 164.69 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 157.15 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -13.97 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.221 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -56.05 -60.46 3.46 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.863 0.364 . . . . 1.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -113.8 0.05 14.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.81 1.291 . . . . 1.0 111.823 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.77 145.59 1.52 Allowed Glycine 0 C--N 1.276 -2.751 0 CA-C-N 112.111 -2.313 . . . . 1.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.64 148.24 82.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.546 2.164 . . . . 1.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m 63.06 123.05 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.56 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.7 m -55.64 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 1.0 111.567 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.23 150.07 45.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.49 2.95 81.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.935 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.6 p90 -171.62 132.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.711 0.291 . . . . 1.0 110.388 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -113.97 146.77 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 111.132 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 45.4 t -84.69 154.0 22.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.03 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -141.31 81.7 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.88 -55.02 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 59.94 -176.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -66.49 -17.83 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 156.15 92.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 -27.78 32.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.709 2.272 . . . . 1.0 112.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.79 124.05 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.5 m -144.73 135.98 25.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -169.98 170.92 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -67.18 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.045 0.45 . . . . 1.0 110.939 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.45 91.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.48 151.34 47.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.46 148.99 33.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 1.0 110.702 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.916 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.933 0.397 . . . . 1.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.13 159.0 44.38 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.147 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.94 168.15 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -10.95 36.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.319 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.43 -56.72 18.16 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.777 0.322 . . . . 1.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -111.74 -0.1 16.08 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.802 1.287 . . . . 1.0 111.873 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.56 119.12 0.08 OUTLIER Glycine 0 C--N 1.276 -2.776 0 CA-C-N 112.19 -2.277 . . . . 1.0 112.419 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.54 148.31 73.63 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.472 2.115 . . . . 1.0 112.309 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -170.31 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.069 0.461 . . . . 1.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 66.03 139.89 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.512 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -157.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.609 0.718 . . . . 1.0 111.867 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 150.85 23.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.342 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 3.85 81.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.894 -0.67 . . . . 1.0 112.056 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -172.72 127.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.682 0.277 . . . . 1.0 110.529 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -111.16 146.42 36.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 1.0 111.07 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.2 t -102.4 154.94 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.5 t -138.43 109.44 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.655 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -107.67 -65.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.02 -168.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 p -63.62 -17.6 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 144.17 97.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -27.15 24.89 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.482 2.121 . . . . 1.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -86.27 117.53 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.96 140.77 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -170.12 167.91 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -164.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.712 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 176.39 91.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.609 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.49 148.7 51.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.625 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.61 148.86 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.117 0.484 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.946 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 1.0 110.805 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -64.09 176.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.139 0.495 . . . . 1.0 111.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.68 158.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -12.18 39.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.258 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -57.15 -58.05 9.9 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.818 0.342 . . . . 1.0 111.221 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.86 -0.02 15.03 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.783 1.278 . . . . 1.0 111.807 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.32 123.78 0.19 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.178 -2.283 . . . . 1.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 152.31 28.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.465 2.11 . . . . 1.0 112.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.19 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.231 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 m 62.81 132.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.508 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.72 -169.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.068 0.461 . . . . 1.0 111.28 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 150.22 38.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.111 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 2.1 78.96 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.844 -0.693 . . . . 1.0 112.063 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -171.14 131.53 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.44 151.91 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.984 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.56 155.15 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.176 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -146.62 101.7 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -98.14 -42.98 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 58.81 -168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -17.99 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.28 147.77 90.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 -27.02 23.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.169 . . . . 1.0 112.379 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.86 141.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 174.37 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -170.04 148.0 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -164.13 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 155.4 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.683 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.35 149.11 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 1.0 110.673 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.915 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.915 0.388 . . . . 1.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.78 176.75 7.47 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.643 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.69 152.45 37.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -10.0 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.322 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -56.65 -55.73 30.36 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.837 0.351 . . . . 1.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -114.21 -0.05 14.05 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.816 1.293 . . . . 1.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.35 148.74 4.7 Favored Glycine 0 C--N 1.277 -2.742 0 CA-C-N 112.221 -2.263 . . . . 1.0 112.373 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.6 149.26 73.81 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.566 2.177 . . . . 1.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -170.72 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 62.36 138.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.03 -157.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.64 0.734 . . . . 1.0 111.787 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -87.56 149.95 24.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.905 -1.043 . . . . 1.0 111.325 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.78 6.78 84.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.879 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.7 126.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 1.0 110.64 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -102.24 153.2 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.92 155.28 18.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.0 100.41 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.701 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.89 -40.48 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.75 -167.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -63.45 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.15 145.98 94.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.38 -27.55 33.86 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.554 2.17 . . . . 1.0 112.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.07 135.4 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 176.22 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.26 142.11 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.655 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.09 95.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 152.36 45.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -79.07 148.99 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.131 0.491 . . . . 1.0 110.635 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.235 -0.888 . . . . 1.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 pttm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 1.0 110.722 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 79.5 m -64.26 176.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.21 0.529 . . . . 1.0 111.515 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.61 159.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -12.06 38.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -57.17 -58.0 10.14 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.836 0.35 . . . . 1.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.6 -0.03 15.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.837 1.303 . . . . 1.0 111.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 121.38 0.15 Allowed Glycine 0 C--N 1.276 -2.753 0 CA-C-N 112.174 -2.285 . . . . 1.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.2 149.85 27.03 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.454 2.103 . . . . 1.0 112.246 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -170.11 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m 62.76 130.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.471 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.06 -168.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.028 0.442 . . . . 1.0 111.302 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 149.72 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.198 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.55 2.35 79.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.891 -0.671 . . . . 1.0 111.952 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -171.32 133.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 1.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -108.03 153.01 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.964 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.88 155.64 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 1.0 111.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.1 99.5 3.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.679 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.6 t -97.31 -40.8 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.63 -167.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -62.79 -17.94 61.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -69.86 143.27 91.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.6 -27.71 38.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.479 2.119 . . . . 1.0 112.225 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -93.49 130.51 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -117.29 173.6 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -170.03 146.09 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.31 -164.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.865 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 90.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.25 153.57 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.682 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -80.11 149.1 30.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.129 0.49 . . . . 1.0 110.588 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.902 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.945 0.402 . . . . 1.0 111.054 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.6 162.31 27.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.215 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.25 147.55 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.34 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.382 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -56.35 -54.49 44.84 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.814 0.34 . . . . 1.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.81 0.03 14.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.857 1.313 . . . . 1.0 111.811 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.59 147.4 4.26 Favored Glycine 0 C--N 1.277 -2.739 0 CA-C-N 112.171 -2.286 . . . . 1.0 112.358 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.62 146.75 85.15 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.454 2.102 . . . . 1.0 112.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -171.68 -54.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.91 136.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.517 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -158.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.472 0.653 . . . . 1.0 111.844 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -84.4 150.34 25.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.071 -0.968 . . . . 1.0 111.288 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.64 85.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.692 . . . . 1.0 111.903 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.415 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 0.9 OUTLIER -171.73 124.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.444 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.62 147.52 30.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 1.0 111.061 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.72 154.01 19.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -136.41 86.79 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.78 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.85 -59.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 59.58 -176.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.5 p -62.61 -18.89 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -70.74 153.9 94.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.71 -27.44 31.89 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.65 2.233 . . . . 1.0 112.23 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.97 122.2 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.74 137.41 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -170.11 168.73 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.802 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -164.03 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.715 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.73 94.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 150.54 48.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.559 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -77.82 148.92 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.069 0.461 . . . . 1.0 110.65 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.896 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 1.0 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.6 m -76.97 177.4 7.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.689 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.94 151.87 35.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.078 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -9.59 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.39 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -56.66 -55.43 34.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.793 0.33 . . . . 1.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -114.5 0.07 13.89 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.826 1.298 . . . . 1.0 111.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.29 148.49 5.36 Favored Glycine 0 C--N 1.276 -2.762 0 CA-C-N 112.192 -2.276 . . . . 1.0 112.408 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.91 149.03 71.79 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.585 2.19 . . . . 1.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -171.26 -47.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.8 m 62.29 140.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.814 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -54.87 -157.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.672 0.749 . . . . 1.0 111.796 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -88.75 149.82 23.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.301 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.89 6.63 84.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.857 -0.687 . . . . 1.0 111.852 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CE2' ' O ' ' A' ' 19' ' ' ASP . 1.1 p90 -171.88 124.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 1.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -99.45 155.74 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 1.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.55 155.21 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -144.33 101.1 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.739 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -98.72 -43.05 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 58.83 -168.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -63.0 -17.87 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.28 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 mtt -61.01 149.51 81.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 -27.0 21.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.624 2.216 . . . . 1.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -105.53 146.08 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 176.86 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ptt85 -170.06 142.94 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.27 98.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.31 159.12 29.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.0 149.86 21.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 1.0 110.462 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.274 -0.87 . . . . 1.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 pttt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.768 0.318 . . . . 1.0 110.767 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 m -64.95 165.13 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.221 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.29 160.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -12.66 37.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.274 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -57.08 -58.57 7.62 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.81 0.338 . . . . 1.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.49 -0.09 15.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.799 1.285 . . . . 1.0 111.771 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.47 121.76 0.1 OUTLIER Glycine 0 C--N 1.276 -2.781 0 CA-C-N 112.224 -2.262 . . . . 1.0 112.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.55 146.2 34.77 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.434 2.089 . . . . 1.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.315 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m 63.0 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.48 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 3.1 m -55.69 -169.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.012 0.434 . . . . 1.0 111.404 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.77 148.82 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.123 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.45 1.89 80.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.889 -0.672 . . . . 1.0 111.916 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.4 p90 -171.13 135.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 1.0 110.433 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -117.17 154.97 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.085 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 t -99.74 155.7 17.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.09 0.471 . . . . 1.0 111.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -134.24 90.5 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -103.51 -67.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.974 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.54 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -63.84 -17.39 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.6 mtm -65.53 148.14 98.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 -27.47 15.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.561 2.174 . . . . 1.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -90.37 123.86 34.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.21 147.09 41.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -170.2 169.01 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -165.88 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 177.91 89.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.4 149.81 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.46 148.9 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.075 0.464 . . . . 1.0 110.616 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.215 -0.897 . . . . 1.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.494 -0.242 . . . . 1.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 2.8 p -68.86 -167.95 0.12 Allowed 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 120.564 0.221 . . . . 1.0 111.03 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -116.26 72.03 0.8 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 1.0 111.249 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 -146.12 1.43 Allowed Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.875 -0.602 . . . . 1.0 113.148 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 8.7 mt-10 -122.22 -49.16 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 1.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.14 -0.87 54.49 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-O 125.321 2.623 . . . . 1.0 113.96 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.3 108.98 6.48 Favored 'General case' 1 C--N 1.22 -5.038 1 CA-C-N 106.946 -4.627 . . . . 1.0 110.922 -179.968 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -60.06 143.37 52.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.57 169.81 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.235 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.58 152.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.28 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.386 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.22 -54.45 46.65 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 120.791 0.329 . . . . 1.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.68 0.06 14.45 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.787 1.28 . . . . 1.0 111.823 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.55 118.76 0.57 Allowed Glycine 0 C--N 1.277 -2.734 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.39 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 3' ' ' LEU . 67.1 Cg_exo -51.2 145.61 25.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.428 2.085 . . . . 1.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -171.31 -41.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.073 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m 64.49 120.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.726 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 87.9 m -50.12 -177.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.185 0.517 . . . . 1.0 111.986 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -66.92 152.29 45.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 1.0 111.699 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.33 5.02 83.09 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.0 112.075 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p90 -173.43 135.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.581 0.229 . . . . 1.0 110.396 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 44.6 p90 -110.54 149.12 30.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 1.0 111.122 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 37.8 t -89.3 154.23 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.06 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -138.21 78.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.763 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -94.4 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -169.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -70.08 -16.78 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.75 152.06 93.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.66 -28.02 31.54 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.631 2.221 . . . . 1.0 112.227 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -86.79 130.68 34.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 m -144.62 143.3 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -168.51 166.58 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -66.94 -165.98 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.018 0.437 . . . . 1.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 5.8 tpt85 178.63 92.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -67.62 156.59 36.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.727 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -82.17 149.11 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.078 0.466 . . . . 1.0 110.635 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -95.51 -179.71 4.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.27 -0.872 . . . . 1.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.52 0.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.491 -0.244 . . . . 1.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.95 -171.37 1.63 Allowed 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 120.575 0.226 . . . . 1.0 110.702 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.79 HD23 ' SG ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -125.25 67.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.416 0.627 . . . . 1.0 110.838 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.88 -173.61 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.125 -0.943 . . . . 1.0 113.691 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.7 mt-10 -133.42 -48.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 1.0 110.601 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.16 -0.46 44.49 Favored Glycine 0 CA--C 1.472 -2.607 0 CA-C-O 125.288 2.604 . . . . 1.0 113.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 167.02 13.63 Favored 'General case' 1 C--N 1.22 -5.032 1 CA-C-N 106.994 -4.603 . . . . 1.0 110.788 -179.901 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.57 142.57 33.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.79 ' SG ' HD23 ' A' ' 3' ' ' LEU . 84.2 m -76.15 178.59 6.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.295 0.569 . . . . 1.0 111.84 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.93 154.26 30.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -8.94 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.377 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -57.04 -54.4 47.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 120.856 0.36 . . . . 1.0 111.17 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.56 ' HB3' HD11 ' A' ' 3' ' ' LEU . 8.2 t -114.01 0.07 14.22 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.791 1.281 . . . . 1.0 111.853 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.3 131.8 0.53 Allowed Glycine 0 C--N 1.276 -2.789 0 CA-C-N 112.176 -2.283 . . . . 1.0 112.376 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 51.0 Cg_exo -53.27 145.8 42.88 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.502 2.135 . . . . 1.0 112.382 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.9 p -171.0 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.197 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 63.17 137.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.4 -157.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.631 0.729 . . . . 1.0 111.854 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -87.18 150.27 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.909 -1.041 . . . . 1.0 111.305 -179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.54 6.85 85.32 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.894 -0.669 . . . . 1.0 111.914 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -172.18 127.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.704 0.288 . . . . 1.0 110.57 -179.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -102.63 154.43 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 1.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.72 154.76 20.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.72 104.91 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.736 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . 9.0 t -103.57 -46.99 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 58.16 -164.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -59.78 -19.69 52.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.268 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.7 tpp -68.37 137.45 91.28 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.761 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.5 -26.7 28.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.468 2.112 . . . . 1.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -95.43 114.64 26.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 174.07 6.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -170.25 144.31 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -162.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.682 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 93.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 153.01 44.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.615 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.59 148.99 31.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 1.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t -77.34 143.23 38.91 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.824 0 O-C-N 123.523 0.514 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.52 -0.232 . . . . 1.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.96 -167.9 0.81 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 120.432 0.158 . . . . 1.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 15' ' ' PRO . 1.0 OUTLIER -128.68 68.31 1.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.309 0.576 . . . . 1.0 111.228 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.3 142.89 0.77 Allowed Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.422 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -99.75 32.89 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.128 0.489 . . . . 1.0 110.811 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA2' ' CB ' ' A' ' 33' ' ' CYS . . . 136.73 -2.91 3.44 Favored Glycine 0 CA--C 1.473 -2.557 0 CA-C-O 125.255 2.586 . . . . 1.0 114.072 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.19 -163.4 0.14 Allowed 'General case' 1 C--N 1.22 -5.064 1 CA-C-N 107.063 -4.568 . . . . 1.0 110.789 179.838 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -177.75 4.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.23 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.9 176.9 9.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.839 -0.618 . . . . 1.0 111.286 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.79 156.57 17.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -6.49 35.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.396 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -57.44 -49.96 74.55 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.774 0.321 . . . . 1.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.14 -0.01 15.72 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.868 1.318 . . . . 1.0 111.808 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' HD22 ' A' ' 3' ' ' LEU . . . 78.87 112.77 0.21 Allowed Glycine 0 C--N 1.277 -2.706 0 CA-C-N 112.18 -2.282 . . . . 1.0 112.319 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HA ' HD23 ' A' ' 3' ' ' LEU . 71.7 Cg_exo -50.86 145.59 23.67 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.478 2.118 . . . . 1.0 112.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.71 -42.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 62.5 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.828 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -53.55 -157.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.741 0.781 . . . . 1.0 111.801 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 150.72 22.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.969 -1.014 . . . . 1.0 111.471 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 5.19 82.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.942 -0.647 . . . . 1.0 111.977 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 5' ' ' GLU . 1.2 p90 -172.5 137.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.704 0.287 . . . . 1.0 110.641 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 147.47 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -102.63 140.66 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -133.32 112.87 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.2 t -103.73 -50.3 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -164.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t -61.85 -18.29 59.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.7 mtt -60.09 147.02 81.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 -26.95 12.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.592 2.194 . . . . 1.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.78 131.82 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.976 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 172.31 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -170.1 147.98 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -59.69 -161.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.608 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 176.57 96.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.99 153.57 43.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.656 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -79.9 148.98 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.136 0.493 . . . . 1.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 p -80.48 -162.44 0.46 Allowed 'General case' 0 C--O 1.249 1.069 0 CA-C-O 118.155 -0.926 . . . . 1.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.801 0 O-C-N 123.529 0.518 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.5 -0.24 . . . . 1.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.0 -172.3 1.31 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 120.564 0.221 . . . . 1.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -120.01 67.7 0.83 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.195 0.521 . . . . 1.0 110.554 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 -31.69 0.16 Allowed Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.679 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.08 -81.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 1.0 111.104 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.02 -0.51 48.28 Favored Glycine 0 CA--C 1.472 -2.647 0 CA-C-O 125.318 2.621 . . . . 1.0 114.049 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.64 80.76 1.92 Allowed 'General case' 1 C--N 1.219 -5.075 1 CA-C-N 107.013 -4.593 . . . . 1.0 110.977 -179.924 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 154.16 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.742 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . 4.7 m -65.02 164.65 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.285 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.52 160.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -15.6 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.203 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -56.51 -62.37 1.77 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.816 0.341 . . . . 1.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.24 -0.05 14.72 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.772 1.272 . . . . 1.0 111.824 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.32 146.48 0.63 Allowed Glycine 0 C--N 1.276 -2.779 0 CA-C-N 112.166 -2.288 . . . . 1.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.74 147.99 82.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.597 2.198 . . . . 1.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.2 p -171.15 -45.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 m 61.88 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.525 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 7.0 m -54.59 -170.29 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.0 111.242 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.98 148.12 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 1.0 111.156 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.98 -0.78 76.69 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.928 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.4 p90 -169.22 125.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 1.0 110.606 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -102.52 159.92 15.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.005 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 48.7 t -98.26 155.19 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.03 103.34 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 t -106.09 -30.69 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 59.81 -171.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -61.68 -19.64 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.03 151.05 94.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.73 -27.2 32.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.648 2.232 . . . . 1.0 112.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.76 129.23 37.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 3.8 m -124.65 149.06 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.04 157.25 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.09 -164.96 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.77 91.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.506 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -68.13 163.04 23.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.879 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -86.73 149.4 24.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 1.0 110.709 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -90.33 -75.55 0.46 Allowed 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.762 0 O-C-N 123.526 0.516 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.497 -0.241 . . . . 1.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.81 -173.62 0.64 Allowed 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 122.322 0.249 . . . . 1.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 9' ' ' CYS . 3.4 mt -133.65 70.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.99 42.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 1.0 112.78 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -121.1 -70.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.717 0.294 . . . . 1.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.17 -0.87 47.93 Favored Glycine 0 CA--C 1.472 -2.645 0 CA-C-O 125.311 2.617 . . . . 1.0 114.033 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.24 153.18 32.18 Favored 'General case' 1 C--N 1.22 -5.063 1 CA-C-N 107.021 -4.59 . . . . 1.0 110.941 -179.903 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -81.51 176.26 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.809 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.632 ' HA ' HD22 ' A' ' 3' ' ' LEU . 4.4 m -65.44 164.57 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.24 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.81 150.96 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.039 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -8.93 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.4 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -56.23 -53.78 53.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.818 0.342 . . . . 1.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 3' ' ' LEU . 8.2 t -112.87 -0.04 15.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 122.82 1.295 . . . . 1.0 111.864 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.74 115.61 0.62 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.168 -2.287 . . . . 1.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.97 145.66 24.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.44 2.093 . . . . 1.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -172.8 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.575 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.01 126.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.249 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -54.87 -169.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.138 0.494 . . . . 1.0 111.615 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.77 151.83 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.264 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.28 0.27 80.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.899 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 3.1 p90 -171.7 129.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.645 0.26 . . . . 1.0 110.36 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 148.84 23.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 1.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 49.3 t -76.42 125.78 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.283 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -105.45 59.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.313 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -67.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.963 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 59.12 179.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -70.55 -14.78 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.47 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.29 156.14 3.07 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.654 0.264 . . . . 1.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.43 -32.54 25.3 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.615 2.21 . . . . 1.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.52 134.98 37.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.66 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -127.42 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 1.0 111.539 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -174.43 164.88 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -66.43 -162.55 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.628 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -178.32 100.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 1.0 110.784 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -68.13 161.68 26.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.757 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.49 149.27 25.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.431 . . . . 1.0 110.681 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -88.46 -45.53 9.87 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.786 0 O-C-N 123.527 0.517 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.498 -0.241 . . . . 1.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p -66.58 -159.71 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.936 0.398 . . . . 1.0 111.419 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 8' ' ' LYS . 2.4 mp -132.52 71.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.39 -148.69 2.3 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.049 -0.596 . . . . 1.0 112.892 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 5.5 mt-10 -123.33 -55.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.58 -0.46 49.71 Favored Glycine 0 CA--C 1.473 -2.563 0 CA-C-O 125.303 2.613 . . . . 1.0 113.944 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.33 166.88 1.52 Allowed 'General case' 1 C--N 1.221 -4.998 1 CA-C-N 106.976 -4.612 . . . . 1.0 111.016 -179.936 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.636 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.4 ttmt -94.53 -178.67 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.534 ' HB3' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -151.24 155.76 39.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.958 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.4 165.24 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -11.02 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.367 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -56.65 -56.94 15.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.835 0.35 . . . . 1.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -111.45 -0.09 16.37 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.791 1.281 . . . . 1.0 111.824 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.09 118.11 0.08 OUTLIER Glycine 0 C--N 1.277 -2.744 0 CA-C-N 112.234 -2.257 . . . . 1.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.58 155.81 34.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.534 2.156 . . . . 1.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -170.19 -52.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 1.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 67.47 138.83 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.809 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -55.89 -167.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.006 0.431 . . . . 1.0 111.153 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 152.02 29.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.182 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.95 0.34 74.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.855 -0.688 . . . . 1.0 112.108 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 5' ' ' GLU . 1.6 p90 -171.58 138.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 1.0 110.475 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -117.51 145.43 44.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.12 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.5 t -101.01 154.47 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.89 104.48 4.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.702 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -99.99 -57.74 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 59.34 -176.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -19.49 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.182 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -70.92 152.12 95.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 14.7 Cg_exo -68.8 -27.26 31.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.683 2.255 . . . . 1.0 112.231 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -75.23 118.84 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.0 m -144.35 132.26 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -169.08 167.95 10.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -163.92 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.793 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.4 95.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.624 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.77 151.51 47.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.65 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -78.41 148.89 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.116 0.484 . . . . 1.0 110.646 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p -70.81 -179.28 2.15 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.769 0 O-C-N 123.551 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.424 -0.27 . . . . 1.0 112.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.08 -172.59 3.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.679 0.276 . . . . 1.0 110.77 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 3' ' ' LEU . 6.6 tp -127.78 67.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.201 0.524 . . . . 1.0 110.822 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.27 -158.36 0.02 OUTLIER Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.227 -0.897 . . . . 1.0 113.551 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 6.1 mt-10 -124.03 -58.92 1.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 1.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.4 -0.42 50.3 Favored Glycine 0 CA--C 1.472 -2.602 0 CA-C-O 125.287 2.604 . . . . 1.0 113.907 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -163.48 0.0 OUTLIER 'General case' 1 C--N 1.22 -5.023 1 CA-C-N 106.986 -4.607 . . . . 1.0 110.99 -179.988 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -119.85 -178.73 3.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.51 155.52 41.26 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.071 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.13 174.85 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.79 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.21 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -57.53 -61.83 2.22 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.879 0.371 . . . . 1.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.2 m -112.01 -0.03 15.85 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.84 1.305 . . . . 1.0 111.793 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.14 141.9 0.01 OUTLIER Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.06 145.49 25.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.652 2.235 . . . . 1.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -171.67 -77.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 131.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.155 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.34 0.59 . . . . 1.0 111.744 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -80.38 150.92 29.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.416 -0.811 . . . . 1.0 111.42 -179.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.41 8.1 83.82 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.86 -0.686 . . . . 1.0 111.913 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.84 139.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 1.0 110.911 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.25 150.71 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.44 155.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -136.71 99.22 3.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -102.56 -58.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 61.89 -175.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -65.95 -15.43 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -56.42 149.95 36.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.95 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 28' ' ' MET . 15.0 Cg_exo -68.52 -29.49 30.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.626 2.217 . . . . 1.0 112.185 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -99.35 137.17 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.1 m -145.05 154.93 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -170.44 156.87 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.12 -166.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.881 0.372 . . . . 1.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.32 145.4 0.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -122.25 163.34 19.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.538 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -85.57 148.04 26.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.103 0.478 . . . . 1.0 110.637 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.02 179.35 3.81 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 1.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.793 0 O-C-N 123.578 0.549 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.3 m -69.95 -173.46 0.65 Allowed 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 120.645 0.259 . . . . 1.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -130.09 70.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 1.0 110.744 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 39.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 1.0 113.044 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -127.41 -69.19 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.76 0.314 . . . . 1.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.75 -1.13 49.34 Favored Glycine 0 CA--C 1.472 -2.651 0 CA-C-O 125.323 2.624 . . . . 1.0 113.926 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.95 140.9 19.25 Favored 'General case' 1 C--N 1.22 -5.038 1 CA-C-N 106.972 -4.614 . . . . 1.0 110.957 -179.899 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.39 171.91 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.753 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -63.64 166.21 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.206 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.84 157.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -11.39 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.316 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -56.69 -57.26 13.19 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 120.85 0.357 . . . . 1.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.837 1.303 . . . . 1.0 111.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.64 ' O ' HD13 ' A' ' 3' ' ' LEU . . . 78.67 120.19 0.26 Allowed Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.156 -2.293 . . . . 1.0 112.381 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.92 145.76 39.45 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.403 2.068 . . . . 1.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.66 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.506 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.45 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.241 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.52 -168.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.039 0.447 . . . . 1.0 111.489 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.63 151.42 36.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.261 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.51 1.64 77.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.19 133.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.74 0.305 . . . . 1.0 110.514 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.65 144.0 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 54.0 t -78.01 155.26 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.04 0.448 . . . . 1.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -147.95 85.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.665 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.56 -51.19 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.979 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.73 -167.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 -17.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.86 147.58 78.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -27.71 23.9 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.535 2.156 . . . . 1.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -109.2 135.72 49.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.17 169.86 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 1.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -165.5 146.42 7.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.581 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -64.99 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.981 0.42 . . . . 1.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 99.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.778 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.98 153.58 43.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.666 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -79.77 148.91 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 1.0 110.643 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.4 -80.62 0.55 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.185 -0.912 . . . . 1.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.583 0.552 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.521 -0.232 . . . . 1.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' HB2' ' N ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -77.15 -167.5 0.9 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.615 0.245 . . . . 1.0 110.75 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 16' ' ' SER . 7.7 mp -107.5 70.85 0.8 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.007 0.432 . . . . 1.0 111.135 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.32 -148.45 0.75 Allowed Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.744 -0.662 . . . . 1.0 113.232 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 1.2 mt-10 -125.26 -55.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 1.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.28 -0.92 54.04 Favored Glycine 0 CA--C 1.472 -2.605 0 CA-C-O 125.363 2.646 . . . . 1.0 113.963 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.42 123.34 22.88 Favored 'General case' 1 C--N 1.221 -5.019 1 CA-C-N 106.98 -4.61 . . . . 1.0 110.868 -179.936 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 143.27 55.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.4 m -66.14 173.24 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.64 152.64 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -8.7 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.313 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -57.13 -53.8 53.95 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.855 0.36 . . . . 1.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.84 0.06 14.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.843 1.306 . . . . 1.0 111.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.484 ' O ' HD21 ' A' ' 3' ' ' LEU . . . 77.39 161.76 15.25 Favored Glycine 0 C--N 1.277 -2.722 0 CA-C-N 112.184 -2.28 . . . . 1.0 112.42 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.51 145.2 91.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.554 2.169 . . . . 1.0 112.397 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.731 ' HB2' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -171.32 -71.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.777 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.04 124.41 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.806 . . . . 1.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 83.9 m -51.34 -177.14 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.593 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.33 153.87 41.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.457 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.28 79.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.924 -0.655 . . . . 1.0 112.182 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 18' ' ' CYS . 3.1 p90 -173.39 141.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 1.0 110.449 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 138.46 50.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.217 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 41.3 t -74.34 145.91 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -144.02 82.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -82.7 -48.62 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.077 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 62.85 -172.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.0 p -63.36 -17.28 62.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.42 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.76 150.14 60.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 -28.55 23.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.536 2.157 . . . . 1.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -109.27 135.97 49.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.75 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.81 167.13 9.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.228 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -170.1 135.39 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.638 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -73.6 -169.08 0.64 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.14 0.495 . . . . 1.0 111.309 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 111.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.387 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 153.59 43.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -78.67 148.51 33.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 1.0 110.569 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -101.98 22.58 12.82 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.773 0 O-C-N 123.55 0.531 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.481 -0.247 . . . . 1.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m -69.99 -173.48 0.66 Allowed 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 120.648 0.261 . . . . 1.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -129.69 70.89 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 1.0 110.669 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.24 38.44 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.641 -0.79 . . . . 1.0 113.041 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.85 -68.94 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.711 0.291 . . . . 1.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.61 -1.22 49.82 Favored Glycine 0 CA--C 1.471 -2.675 0 CA-C-O 125.353 2.64 . . . . 1.0 114.003 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.91 140.06 18.43 Favored 'General case' 1 C--N 1.22 -5.025 1 CA-C-N 106.978 -4.611 . . . . 1.0 110.961 -179.86 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 171.63 14.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.747 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.7 m -63.66 166.2 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.74 157.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -11.59 37.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.308 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -56.78 -57.43 12.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.876 0.369 . . . . 1.0 111.195 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -112.51 -0.04 15.36 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.839 1.304 . . . . 1.0 111.809 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.602 ' O ' HD13 ' A' ' 3' ' ' LEU . . . 78.2 120.38 0.24 Allowed Glycine 0 C--N 1.277 -2.731 0 CA-C-N 112.183 -2.28 . . . . 1.0 112.421 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.88 145.72 39.28 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.472 2.115 . . . . 1.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -172.42 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.471 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.49 128.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.281 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.56 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.08 0.467 . . . . 1.0 111.465 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.69 151.4 36.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.252 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 1.67 77.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.872 -0.68 . . . . 1.0 112.067 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.24 133.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.731 0.301 . . . . 1.0 110.487 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -106.02 144.38 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.4 t -79.29 155.28 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.232 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -147.6 88.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.645 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.84 -44.65 8.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.994 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.94 -167.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -17.25 63.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -65.33 149.49 96.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 30' ' ' TYR . 55.4 Cg_endo -70.01 -27.82 24.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 1.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' ' HG2' ' A' ' 29' ' ' PRO . 15.1 m-85 -99.02 144.16 28.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 171.58 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 147.13 4.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.65 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -165.07 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.009 0.433 . . . . 1.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 179.16 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.806 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -67.97 153.15 44.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.646 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.44 148.9 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 1.0 110.664 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 m -106.43 128.45 54.06 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.513 0.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.534 -0.226 . . . . 1.0 112.534 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.5 m -69.94 -173.67 0.67 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 120.643 0.258 . . . . 1.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -129.6 70.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 1.0 110.659 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.15 38.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.665 -0.779 . . . . 1.0 112.971 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -128.5 -68.36 0.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.772 0.32 . . . . 1.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.37 -1.07 50.57 Favored Glycine 0 CA--C 1.472 -2.631 0 CA-C-O 125.306 2.614 . . . . 1.0 113.934 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.52 149.55 27.8 Favored 'General case' 1 C--N 1.22 -5.03 1 CA-C-N 106.998 -4.601 . . . . 1.0 110.955 -179.835 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.03 170.91 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.77 166.43 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.23 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.51 157.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.017 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -11.34 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.307 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -56.43 -57.43 12.35 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.87 0.367 . . . . 1.0 111.213 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.443 ' HB3' HD21 ' A' ' 3' ' ' LEU . 8.2 t -112.54 -0.05 15.33 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.843 1.306 . . . . 1.0 111.876 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.625 ' O ' HD22 ' A' ' 3' ' ' LEU . . . 78.59 120.02 0.25 Allowed Glycine 0 C--N 1.277 -2.749 0 CA-C-N 112.181 -2.281 . . . . 1.0 112.372 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.52 145.87 35.84 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.467 2.111 . . . . 1.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -172.17 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.517 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.51 129.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.237 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.76 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.449 . . . . 1.0 111.433 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.14 151.41 35.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.237 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.37 77.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.119 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' ASN . 1.9 p90 -172.02 133.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 1.0 110.542 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -106.01 145.09 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 52.8 t -80.25 155.26 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.279 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -146.89 88.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.628 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 -44.67 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.965 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.74 -167.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 t -64.05 -17.37 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.273 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -65.44 149.51 97.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.18 -27.82 23.97 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.568 2.179 . . . . 1.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -98.7 143.37 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.802 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 171.92 9.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -168.95 147.25 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.629 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.98 -164.82 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.976 0.417 . . . . 1.0 110.882 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.01 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.741 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -68.04 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.628 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -80.15 148.93 30.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.085 0.469 . . . . 1.0 110.632 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.42 -78.16 0.58 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.799 0 O-C-N 123.531 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.455 -0.258 . . . . 1.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.5 m -76.37 -173.18 2.38 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.666 0.27 . . . . 1.0 110.722 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.649 HD13 ' SG ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -122.39 66.71 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 1.0 110.741 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.95 -167.88 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.126 -0.943 . . . . 1.0 113.586 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.2 mt-10 -134.79 -47.02 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 1.0 110.647 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.5 -0.59 46.74 Favored Glycine 0 CA--C 1.473 -2.58 0 CA-C-O 125.285 2.603 . . . . 1.0 113.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 164.12 16.96 Favored 'General case' 1 C--N 1.22 -5.027 1 CA-C-N 107.028 -4.586 . . . . 1.0 110.892 179.984 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -102.42 142.56 33.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.649 ' SG ' HD13 ' A' ' 3' ' ' LEU . 89.5 m -78.24 178.27 7.75 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.314 0.578 . . . . 1.0 111.842 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.52 155.87 29.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -9.33 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.358 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -56.9 -54.89 41.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.794 0.331 . . . . 1.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -113.92 0.04 14.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.825 1.298 . . . . 1.0 111.866 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.86 129.88 0.39 Allowed Glycine 0 C--N 1.277 -2.73 0 CA-C-N 112.207 -2.27 . . . . 1.0 112.342 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.615 ' HA ' HD13 ' A' ' 3' ' ' LEU . 50.7 Cg_exo -53.45 146.08 43.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.473 2.116 . . . . 1.0 112.363 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -170.3 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 62.55 137.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.686 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -157.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.615 0.721 . . . . 1.0 111.788 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 150.12 24.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.891 -1.05 . . . . 1.0 111.294 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 6.77 85.13 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.827 -0.702 . . . . 1.0 111.887 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.79 126.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 1.0 110.592 -179.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.8 149.94 24.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 1.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 155.1 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.23 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.94 105.01 3.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.726 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 t -102.71 -42.05 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 60.73 -166.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -63.35 -17.66 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.69 148.13 96.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 -27.25 16.48 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.537 2.158 . . . . 1.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -93.5 131.15 39.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 174.49 6.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -170.36 144.97 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -162.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 96.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.633 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.13 155.52 38.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.523 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.85 149.59 21.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.211 0.529 . . . . 1.0 110.467 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -175.55 2.23 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.221 -0.895 . . . . 1.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.558 0.536 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.507 -0.237 . . . . 1.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.0 m -70.19 -173.23 0.66 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 122.299 0.24 . . . . 1.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 13' ' ' SER . 0.1 OUTLIER -133.11 71.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.0 110.649 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.38 40.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.658 -0.782 . . . . 1.0 112.867 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.68 -68.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.739 0.304 . . . . 1.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.56 -1.07 49.95 Favored Glycine 0 CA--C 1.472 -2.636 0 CA-C-O 125.328 2.627 . . . . 1.0 113.983 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -153.5 138.84 17.56 Favored 'General case' 1 C--N 1.22 -5.047 1 CA-C-N 107.006 -4.597 . . . . 1.0 110.965 -179.827 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 177.43 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.799 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.22 164.69 12.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 157.15 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -13.97 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.221 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -56.05 -60.46 3.46 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.863 0.364 . . . . 1.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 3' ' ' LEU . 8.4 t -113.8 0.05 14.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.81 1.291 . . . . 1.0 111.823 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 3' ' ' LEU . . . 75.77 145.59 1.52 Allowed Glycine 0 C--N 1.276 -2.751 0 CA-C-N 112.111 -2.313 . . . . 1.0 112.39 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.64 148.24 82.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.546 2.164 . . . . 1.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m 63.06 123.05 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.56 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.7 m -55.64 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 1.0 111.567 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.23 150.07 45.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.141 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.49 2.95 81.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.935 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.6 p90 -171.62 132.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.711 0.291 . . . . 1.0 110.388 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -113.97 146.77 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 111.132 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 45.4 t -84.69 154.0 22.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.03 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -141.31 81.7 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.88 -55.02 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 59.94 -176.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -66.49 -17.83 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 156.15 92.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 -27.78 32.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.709 2.272 . . . . 1.0 112.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.79 124.05 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.5 m -144.73 135.98 25.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -169.98 170.92 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -67.18 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.045 0.45 . . . . 1.0 110.939 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.45 91.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.48 151.34 47.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.46 148.99 33.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 1.0 110.702 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -106.54 159.73 15.95 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 118.255 -0.879 . . . . 1.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.792 0 O-C-N 123.564 0.54 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.469 -0.252 . . . . 1.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 m -76.93 -175.28 3.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.706 0.288 . . . . 1.0 110.759 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 15' ' ' PRO . 4.6 tp -118.1 65.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.384 0.612 . . . . 1.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.0 -165.51 0.01 OUTLIER Glycine 0 CA--C 1.517 0.196 0 CA-C-N 114.962 -1.017 . . . . 1.0 113.644 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 mt-10 -124.23 -46.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 1.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.91 0.27 36.01 Favored Glycine 0 CA--C 1.473 -2.583 0 CA-C-O 125.311 2.617 . . . . 1.0 113.764 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.54 163.84 22.63 Favored 'General case' 1 C--N 1.22 -5.036 1 CA-C-N 106.941 -4.63 . . . . 1.0 111.123 -179.745 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -90.9 -177.63 5.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.13 159.0 44.38 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.147 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.94 168.15 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -10.95 36.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.319 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -57.43 -56.72 18.16 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.777 0.322 . . . . 1.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -111.74 -0.1 16.08 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.802 1.287 . . . . 1.0 111.873 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.56 119.12 0.08 OUTLIER Glycine 0 C--N 1.276 -2.776 0 CA-C-N 112.19 -2.277 . . . . 1.0 112.419 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 36.0 Cg_exo -57.54 148.31 73.63 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.472 2.115 . . . . 1.0 112.309 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -170.31 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.069 0.461 . . . . 1.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 66.03 139.89 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.512 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -157.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.609 0.718 . . . . 1.0 111.867 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 150.85 23.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.342 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 3.85 81.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.894 -0.67 . . . . 1.0 112.056 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.445 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 2.4 p90 -172.72 127.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.682 0.277 . . . . 1.0 110.529 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -111.16 146.42 36.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 1.0 111.07 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.2 t -102.4 154.94 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.5 t -138.43 109.44 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.655 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -107.67 -65.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.02 -168.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 p -63.62 -17.6 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 144.17 97.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -27.15 24.89 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.482 2.121 . . . . 1.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -86.27 117.53 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.96 140.77 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -170.12 167.91 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -164.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.712 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 176.39 91.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.609 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.49 148.7 51.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.625 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.61 148.86 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.117 0.484 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m -87.9 136.4 32.98 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.798 0 O-C-N 123.572 0.545 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.496 -0.242 . . . . 1.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -69.98 -172.96 0.59 Allowed 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 120.614 0.245 . . . . 1.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -130.22 70.06 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 1.0 110.729 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.42 36.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 1.0 112.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -128.23 -67.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.756 0.312 . . . . 1.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.19 -0.97 51.12 Favored Glycine 0 CA--C 1.472 -2.621 0 CA-C-O 125.303 2.613 . . . . 1.0 113.976 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -150.97 163.8 37.89 Favored 'General case' 1 C--N 1.22 -5.041 1 CA-C-N 107.016 -4.592 . . . . 1.0 110.997 -179.895 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 162.76 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.805 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -64.09 176.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.139 0.495 . . . . 1.0 111.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.68 158.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -12.18 39.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.258 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -57.15 -58.05 9.9 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.818 0.342 . . . . 1.0 111.221 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.86 -0.02 15.03 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.783 1.278 . . . . 1.0 111.807 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.32 123.78 0.19 Allowed Glycine 0 C--N 1.276 -2.763 0 CA-C-N 112.178 -2.283 . . . . 1.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HA ' HD23 ' A' ' 3' ' ' LEU . 52.8 Cg_exo -54.72 152.31 28.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.465 2.11 . . . . 1.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.19 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.231 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 m 62.81 132.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.508 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.72 -169.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.068 0.461 . . . . 1.0 111.28 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 150.22 38.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.111 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 2.1 78.96 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.844 -0.693 . . . . 1.0 112.063 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -171.14 131.53 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.44 151.91 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.984 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.56 155.15 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.176 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -146.62 101.7 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.0 t -98.14 -42.98 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 58.81 -168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -17.99 62.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.28 147.77 90.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 -27.02 23.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.169 . . . . 1.0 112.379 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.86 141.22 36.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 174.37 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -170.04 148.0 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -164.13 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.5 155.4 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.683 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.35 149.11 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 1.0 110.673 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -105.17 178.44 4.56 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.819 0 O-C-N 123.56 0.537 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.492 -0.243 . . . . 1.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.01 -170.29 1.34 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.591 0.234 . . . . 1.0 110.66 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD23 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -125.68 67.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.442 0.639 . . . . 1.0 110.907 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.74 -176.18 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.112 -0.949 . . . . 1.0 113.746 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.0 mt-10 -132.69 -48.54 0.89 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 1.0 110.603 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.49 -0.59 46.76 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-O 125.287 2.604 . . . . 1.0 113.936 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.48 165.59 13.72 Favored 'General case' 1 C--N 1.221 -5.018 1 CA-C-N 106.96 -4.62 . . . . 1.0 110.852 -179.982 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.39 142.65 33.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.551 ' SG ' HD23 ' A' ' 3' ' ' LEU . 72.5 m -75.78 176.75 7.47 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.643 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.69 152.45 37.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -10.0 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.322 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -56.65 -55.73 30.36 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.837 0.351 . . . . 1.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -114.21 -0.05 14.05 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.816 1.293 . . . . 1.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.35 148.74 4.7 Favored Glycine 0 C--N 1.277 -2.742 0 CA-C-N 112.221 -2.263 . . . . 1.0 112.373 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HA ' HD22 ' A' ' 3' ' ' LEU . 45.5 Cg_endo -68.6 149.26 73.81 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.566 2.177 . . . . 1.0 112.349 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -170.72 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.6 m 62.36 138.44 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -55.03 -157.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.64 0.734 . . . . 1.0 111.787 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -87.56 149.95 24.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.905 -1.043 . . . . 1.0 111.325 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.78 6.78 84.99 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.879 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.7 126.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 1.0 110.64 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -102.24 153.2 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.92 155.28 18.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.0 100.41 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.701 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.89 -40.48 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.75 -167.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -63.45 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.15 145.98 94.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.38 -27.55 33.86 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.554 2.17 . . . . 1.0 112.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.07 135.4 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 176.22 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.26 142.11 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.655 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.09 95.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 152.36 45.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -79.07 148.99 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.131 0.491 . . . . 1.0 110.635 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -7.23 50.72 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.235 -0.888 . . . . 1.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.796 0 O-C-N 123.504 0.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.477 -0.249 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 57.1 m -70.23 -172.98 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.628 0.251 . . . . 1.0 110.827 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.43 70.83 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 1.0 110.67 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.9 38.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.566 -0.826 . . . . 1.0 113.037 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 2' ' ' CYS . 5.8 mt-10 -127.45 -67.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 1.0 111.089 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.32 -1.0 50.72 Favored Glycine 0 CA--C 1.472 -2.615 0 CA-C-O 125.283 2.602 . . . . 1.0 114.054 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.35 154.35 34.36 Favored 'General case' 1 C--N 1.22 -5.048 1 CA-C-N 107.01 -4.595 . . . . 1.0 111.03 -179.837 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -94.61 164.34 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.722 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 79.5 m -64.26 176.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.21 0.529 . . . . 1.0 111.515 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.61 159.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -12.06 38.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -57.17 -58.0 10.14 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.836 0.35 . . . . 1.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -112.6 -0.03 15.28 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.837 1.303 . . . . 1.0 111.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 121.38 0.15 Allowed Glycine 0 C--N 1.276 -2.753 0 CA-C-N 112.174 -2.285 . . . . 1.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.2 149.85 27.03 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.454 2.103 . . . . 1.0 112.246 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -170.11 -42.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m 62.76 130.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.471 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.06 -168.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.028 0.442 . . . . 1.0 111.302 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 149.72 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.198 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.55 2.35 79.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.891 -0.671 . . . . 1.0 111.952 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -171.32 133.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 1.0 110.622 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -108.03 153.01 23.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.964 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -101.88 155.64 18.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 1.0 111.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.1 99.5 3.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.679 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.6 t -97.31 -40.8 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.63 -167.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -62.79 -17.94 61.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.6 tpp -69.86 143.27 91.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.6 -27.71 38.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.479 2.119 . . . . 1.0 112.225 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -93.49 130.51 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -117.29 173.6 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -170.03 146.09 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -65.31 -164.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.865 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 90.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.25 153.57 43.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.682 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -80.11 149.1 30.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.129 0.49 . . . . 1.0 110.588 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -75.66 -48.33 22.54 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 CA-C-N 118.289 0.495 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.458 -0.257 . . . . 1.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.28 -174.81 3.88 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.777 0.322 . . . . 1.0 110.706 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 9' ' ' CYS . 6.7 tp -121.61 65.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.379 0.609 . . . . 1.0 110.697 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.45 -160.9 0.01 OUTLIER Glycine 0 CA--C 1.517 0.214 0 CA-C-N 114.908 -1.042 . . . . 1.0 113.847 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 1.9 mt-10 -131.2 -53.8 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.347 . . . . 1.0 110.729 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.47 -0.98 53.44 Favored Glycine 0 CA--C 1.472 -2.636 0 CA-C-O 125.377 2.654 . . . . 1.0 113.976 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -170.54 0.4 Allowed 'General case' 1 C--N 1.221 -5.012 1 CA-C-N 107.029 -4.586 . . . . 1.0 110.76 179.915 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 142.55 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.054 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' HA ' HD21 ' A' ' 3' ' ' LEU . 3.2 m -77.6 162.31 27.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.215 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.25 147.55 27.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.19 -9.34 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.382 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -56.35 -54.49 44.84 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.814 0.34 . . . . 1.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -113.81 0.03 14.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.857 1.313 . . . . 1.0 111.811 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.59 147.4 4.26 Favored Glycine 0 C--N 1.277 -2.739 0 CA-C-N 112.171 -2.286 . . . . 1.0 112.358 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HA ' HD22 ' A' ' 3' ' ' LEU . 35.8 Cg_endo -65.62 146.75 85.15 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.454 2.102 . . . . 1.0 112.387 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -171.68 -54.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.91 136.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.517 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -158.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.472 0.653 . . . . 1.0 111.844 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -84.4 150.34 25.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.071 -0.968 . . . . 1.0 111.288 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.64 85.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.692 . . . . 1.0 111.903 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -171.73 124.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.444 -179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.62 147.52 30.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 1.0 111.061 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.72 154.01 19.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -136.41 86.79 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.78 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.85 -59.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 59.58 -176.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.5 p -62.61 -18.89 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -70.74 153.9 94.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.71 -27.44 31.89 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.65 2.233 . . . . 1.0 112.23 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.97 122.2 23.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.74 137.41 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -170.11 168.73 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.802 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -164.03 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.715 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.73 94.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.97 150.54 48.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.559 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -77.82 148.92 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.069 0.461 . . . . 1.0 110.65 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -83.91 -61.48 1.81 Allowed 'General case' 0 C--O 1.249 1.034 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.537 0.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.541 -0.224 . . . . 1.0 112.541 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 m -76.37 -169.92 1.33 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.557 0.218 . . . . 1.0 110.69 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -124.5 66.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.436 0.636 . . . . 1.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.1 -177.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.065 -0.97 . . . . 1.0 113.802 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.2 mt-10 -133.35 -50.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 1.0 110.588 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.52 -0.58 46.65 Favored Glycine 0 CA--C 1.472 -2.61 0 CA-C-O 125.3 2.611 . . . . 1.0 113.948 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.82 -172.3 3.93 Favored 'General case' 1 C--N 1.22 -5.046 1 CA-C-N 106.987 -4.607 . . . . 1.0 110.816 -179.977 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.31 142.55 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 3' ' ' LEU . 86.6 m -76.97 177.4 7.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.689 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.94 151.87 35.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.078 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -9.59 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.39 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -56.66 -55.43 34.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.793 0.33 . . . . 1.0 111.2 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -114.5 0.07 13.89 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.826 1.298 . . . . 1.0 111.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.29 148.49 5.36 Favored Glycine 0 C--N 1.276 -2.762 0 CA-C-N 112.192 -2.276 . . . . 1.0 112.408 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HA ' HD22 ' A' ' 3' ' ' LEU . 47.5 Cg_endo -68.91 149.03 71.79 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.585 2.19 . . . . 1.0 112.453 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -171.26 -47.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' CYS . 1.8 m 62.29 140.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.814 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -54.87 -157.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.672 0.749 . . . . 1.0 111.796 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -88.75 149.82 23.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.301 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.89 6.63 84.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.857 -0.687 . . . . 1.0 111.852 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 5' ' ' GLU . 1.1 p90 -171.88 124.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 1.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -99.45 155.74 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 1.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.55 155.21 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -144.33 101.1 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.739 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -98.72 -43.05 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 58.83 -168.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -63.0 -17.87 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.28 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 mtt -61.01 149.51 81.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 -27.0 21.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.624 2.216 . . . . 1.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -105.53 146.08 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 176.86 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ptt85 -170.06 142.94 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.27 98.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.31 159.12 29.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.0 149.86 21.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 1.0 110.462 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.8 178.47 7.31 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.274 -0.87 . . . . 1.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.759 0 O-C-N 123.521 0.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.527 -0.229 . . . . 1.0 112.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m -71.47 -173.18 0.87 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.631 0.253 . . . . 1.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 13' ' ' SER . 0.6 OUTLIER -126.87 69.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 1.0 110.642 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 36.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 1.0 112.997 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.03 -68.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 1.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.42 -1.0 50.37 Favored Glycine 0 CA--C 1.472 -2.629 0 CA-C-O 125.363 2.646 . . . . 1.0 114.061 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -151.74 136.75 17.32 Favored 'General case' 1 C--N 1.22 -5.023 1 CA-C-N 106.972 -4.614 . . . . 1.0 110.976 -179.933 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -82.64 164.99 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 m -64.95 165.13 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.221 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.29 160.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -12.66 37.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.274 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -57.08 -58.57 7.62 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.81 0.338 . . . . 1.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.44 ' HB2' HD21 ' A' ' 3' ' ' LEU . 58.2 m -112.49 -0.09 15.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.799 1.285 . . . . 1.0 111.771 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.47 121.76 0.1 OUTLIER Glycine 0 C--N 1.276 -2.781 0 CA-C-N 112.224 -2.262 . . . . 1.0 112.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.55 146.2 34.77 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.434 2.089 . . . . 1.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.315 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m 63.0 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.48 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 3.1 m -55.69 -169.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.012 0.434 . . . . 1.0 111.404 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.77 148.82 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.123 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.45 1.89 80.37 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.889 -0.672 . . . . 1.0 111.916 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 18' ' ' CYS . 1.4 p90 -171.13 135.27 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 1.0 110.433 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -117.17 154.97 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.085 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 t -99.74 155.7 17.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.09 0.471 . . . . 1.0 111.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -134.24 90.5 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.6 t -103.51 -67.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.974 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.54 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -63.84 -17.39 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.6 mtm -65.53 148.14 98.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 -27.47 15.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.561 2.174 . . . . 1.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -90.37 123.86 34.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.21 147.09 41.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -170.2 169.01 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -165.88 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 177.91 89.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.4 149.81 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.46 148.9 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.075 0.464 . . . . 1.0 110.616 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -75.26 154.13 37.64 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 118.215 -0.897 . . . . 1.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.803 0 O-C-N 123.551 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 stop_ save_